7CN

3-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide

Created:	2016-10-04
Last modified:	2017-08-09

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1 entries where 7CN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	12

2D diagram of 7CN

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Chemical Component Summary
Name	3-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	3-bromanyl-~{N}-[3-(2-oxidanylidene-3~{H}-pyrrol-1-yl)phenyl]benzenesulfonamide
Formula	C₁₆ H₁₃ Br N₂ O₃ S
Molecular Weight	393.255
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C3C(N(c2cccc(NS(=O)(=O)c1cccc(Br)c1)c2)C=C3)=O
SMILES	CACTVS	3.385	Brc1cccc(c1)[S](=O)(=O)Nc2cccc(c2)N3C=CCC3=O
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)N2C=CCC2=O)NS(=O)(=O)c3cccc(c3)Br
Canonical SMILES	CACTVS	3.385	Brc1cccc(c1)[S](=O)(=O)Nc2cccc(c2)N3C=CCC3=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)N2C=CCC2=O)NS(=O)(=O)c3cccc(c3)Br
InChI	InChI	1.03	InChI=1S/C16H13BrN2O3S/c17-12-4-1-7-15(10-12)23(21,22)18-13-5-2-6-14(11-13)19-9-3-8-16(19)20/h1-7,9-11,18H,8H2
InChIKey	InChI	1.03	DJIRSBLLCJUATA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137348590

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.