X0S

2-chloro-N-methylbenzene-1-sulfonamide

Created:	2020-11-19
Last modified:	2021-06-30

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3 entries where X0S is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of X0S

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Chemical Component Summary
Name	2-chloro-N-methylbenzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	2-chloranyl-~{N}-methyl-benzenesulfonamide
Formula	C₇ H₈ Cl N O₂ S
Molecular Weight	205.662
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(S(NC)(=O)=O)c(Cl)ccc1
SMILES	CACTVS	3.385	CN[S](=O)(=O)c1ccccc1Cl
SMILES	OpenEye OEToolkits	2.0.7	CNS(=O)(=O)c1ccccc1Cl
Canonical SMILES	CACTVS	3.385	CN[S](=O)(=O)c1ccccc1Cl
Canonical SMILES	OpenEye OEToolkits	2.0.7	CNS(=O)(=O)c1ccccc1Cl
InChI	InChI	1.03	InChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKey	InChI	1.03	OSFAUZAAZLLTSW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8468051

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.