N-(3,4-dicyanophenyl)benzenesulfonamide

C14H9N3O2S — CID 113220864

IUPACN-(3,4-dicyanophenyl)benzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1C#N
InChIInChI=1S/C14H9N3O2S/c15-9-11-6-7-13(8-12(11)10-16)17-20(18,19)14-4-2-1-3-5-14/h1-8,17H
InChIKeyPXPSYZUVFIBSEV-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.23
Rot. Bonds3

About N-(3,4-dicyanophenyl)benzenesulfonamide

N-(3,4-dicyanophenyl)benzenesulfonamide (PubChem CID 113220864) has the molecular formula C14H9N3O2S and a molecular weight of 283.31 g/mol. Its IUPAC name is N-(3,4-dicyanophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dicyanophenyl)benzenesulfonamide
PubChem CID113220864
Molecular FormulaC14H9N3O2S
Molecular Weight283.31 g/mol
Exact Mass283.04
IUPAC NameN-(3,4-dicyanophenyl)benzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1C#N
InChIInChI=1S/C14H9N3O2S/c15-9-11-6-7-13(8-12(11)10-16)17-20(18,19)14-4-2-1-3-5-14/h1-8,17H
InChIKeyPXPSYZUVFIBSEV-UHFFFAOYSA-N
XLogP2.23
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)benzenesulfonamide
CID 736007
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714189
N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide
CID 169370042
N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide
CID 112989986
4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide
CID 107786924
1-N-(4-chloro-3-cyanophenyl)-3-N,3-N-dimethylbenzene-1,3-disulfonamide
CID 31782478
3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612
N-(3,4-dicyanophenyl)-3-methylbutane-1-sulfonamide
CID 107796552
3-[(3,4-dicyanophenyl)sulfamoyl]propanoic acid
CID 114001558
4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide
CID 65480606
4-amino-N-(3,4-dicyanophenyl)pyridine-3-sulfonamide
CID 107793321

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dicyanophenyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dicyanophenyl)benzenesulfonamide (CID 113220864) is N-(3,4-dicyanophenyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dicyanophenyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dicyanophenyl)benzenesulfonamide is N#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1C#N.
What is the InChIKey of N-(3,4-dicyanophenyl)benzenesulfonamide?
The InChIKey is PXPSYZUVFIBSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2S/c15-9-11-6-7-13(8-12(11)10-16)17-20(18,19)14-4-2-1-3-5-14/h1-8,17H.
What are the key properties of N-(3,4-dicyanophenyl)benzenesulfonamide?
N-(3,4-dicyanophenyl)benzenesulfonamide has a molecular weight of 283.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dicyanophenyl)benzenesulfonamide is sourced from PubChem (CID 113220864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).