2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide

C13H8Cl2N2O2S — CID 26979574

IUPAC2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C13H8Cl2N2O2S/c14-11-5-2-6-12(15)13(11)20(18,19)17-10-4-1-3-9(7-10)8-16/h1-7,17H
InChIKeyLDIHSFPWNPOKKF-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.67
Rot. Bonds3

About 2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide

2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide (PubChem CID 26979574) has the molecular formula C13H8Cl2N2O2S and a molecular weight of 327.19 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide
PubChem CID26979574
Molecular FormulaC13H8Cl2N2O2S
Molecular Weight327.19 g/mol
Exact Mass325.97
IUPAC Name2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C13H8Cl2N2O2S/c14-11-5-2-6-12(15)13(11)20(18,19)17-10-4-1-3-9(7-10)8-16/h1-7,17H
InChIKeyLDIHSFPWNPOKKF-UHFFFAOYSA-N
XLogP3.67
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
CID 3712473
2-chloro-5-cyano-N-(3-ethynylphenyl)benzenesulfonamide
CID 80696556
2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide
CID 47154362
4-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 79556049
2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide
CID 43452384
N-(3-cyanophenyl)-4-(2,4-dichlorophenyl)benzenesulfonamide
CID 155927046
3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 43257536
1-cyano-3-(dimethylsulfamoylamino)benzene
CID 28788421
N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide
CID 103822995
N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 28607007
N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
CID 2098329
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide (CID 26979574) is 2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide is N#Cc1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide?
The InChIKey is LDIHSFPWNPOKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2S/c14-11-5-2-6-12(15)13(11)20(18,19)17-10-4-1-3-9(7-10)8-16/h1-7,17H.
What are the key properties of 2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide?
2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide has a molecular weight of 327.19 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide is sourced from PubChem (CID 26979574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).