A1AUL

2-(2-chloroethoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide

Created:	2024-06-06
Last modified:	2024-10-23

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1 entries where A1AUL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	12

2D diagram of A1AUL

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Chemical Component Summary
Name	2-(2-chloroethoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	1-[2-(2-chloroethyloxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-pyrimidin-2-yl)urea
Formula	C₁₅ H₁₇ Cl N₄ O₅ S
Molecular Weight	400.837
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1nc(C)cc(OC)n1)NS(=O)(=O)c1ccccc1OCCCl
SMILES	CACTVS	3.385	COc1cc(C)nc(NC(=O)N[S](=O)(=O)c2ccccc2OCCCl)n1
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2OCCCl)OC
Canonical SMILES	CACTVS	3.385	COc1cc(C)nc(NC(=O)N[S](=O)(=O)c2ccccc2OCCCl)n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2OCCCl)OC
InChI	InChI	1.06	InChI=1S/C15H17ClN4O5S/c1-10-9-13(24-2)18-14(17-10)19-15(21)20-26(22,23)12-6-4-3-5-11(12)25-8-7-16/h3-6,9H,7-8H2,1-2H3,(H2,17,18,19,20,21)
InChIKey	InChI	1.06	GNORLOQNBSLCCS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	13729534

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.