72D

4-(phenyl)-benzenesulfonamide

Created:	2016-08-15
Last modified:	2021-03-13

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2 entries where 72D is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	12

2D diagram of 72D

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Chemical Component Summary
Name	4-(phenyl)-benzenesulfonamide
Synonyms	[1,1'-biphenyl]-4-sulfonamide
Systematic Name (OpenEye OEToolkits)	4-phenylbenzenesulfonamide
Formula	C₁₂ H₁₁ N O₂ S
Molecular Weight	233.286
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(S(=O)(=O)N)ccc1c2ccccc2
SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(cc1)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.5	c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(cc1)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.5	c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C12H11NO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
InChIKey	InChI	1.03	JVFCCRJSBNUDDU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3764182
PubChem	5017140
ChEMBL	CHEMBL3764182

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