3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide

C14H13N3O4S2 — CID 25331446

IUPAC3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NS(=O)(=O)c2cccc(C#N)c2)c1
InChIInChI=1S/C14H13N3O4S2/c1-22(18,19)16-12-5-3-6-13(9-12)17-23(20,21)14-7-2-4-11(8-14)10-15/h2-9,16-17H,1H3
InChIKeyVTKPJOPLWQCHAM-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.73
Rot. Bonds5

About 3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide

3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide (PubChem CID 25331446) has the molecular formula C14H13N3O4S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
PubChem CID25331446
Molecular FormulaC14H13N3O4S2
Molecular Weight351.41 g/mol
Exact Mass351.03
IUPAC Name3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NS(=O)(=O)c2cccc(C#N)c2)c1
InChIInChI=1S/C14H13N3O4S2/c1-22(18,19)16-12-5-3-6-13(9-12)17-23(20,21)14-7-2-4-11(8-14)10-15/h2-9,16-17H,1H3
InChIKeyVTKPJOPLWQCHAM-UHFFFAOYSA-N
XLogP1.73
TPSA116.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884
N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide
CID 103822995
3-cyano-N-(3-cyano-1H-inden-5-yl)benzenesulfonamide
CID 159870746
4-[(3-cyanophenyl)sulfonylamino]benzoate
CID 8015569
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
3-cyano-N-(1H-indol-5-yl)benzenesulfonamide
CID 5239673
3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide
CID 4967372
3-cyano-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzenesulfonamide
CID 5161699
N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide
CID 112989986
N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
CID 103775599
N-(3-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 49368704
3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 7938889

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide (CID 25331446) is 3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide is CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2cccc(C#N)c2)c1.
What is the InChIKey of 3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide?
The InChIKey is VTKPJOPLWQCHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c1-22(18,19)16-12-5-3-6-13(9-12)17-23(20,21)14-7-2-4-11(8-14)10-15/h2-9,16-17H,1H3.
What are the key properties of 3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide?
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide has a molecular weight of 351.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide is sourced from PubChem (CID 25331446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).