N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide

C15H13ClN2O2S — CID 103791853

IUPACN-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2Cl)cc1C
InChIInChI=1S/C15H13ClN2O2S/c1-10-3-5-13(7-11(10)2)21(19,20)18-15-6-4-12(9-17)8-14(15)16/h3-8,18H,1-2H3
InChIKeyXRIDOFRXLCBNNO-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.63
Rot. Bonds3

About N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide

N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 103791853) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
PubChem CID103791853
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC NameN-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2Cl)cc1C
InChIInChI=1S/C15H13ClN2O2S/c1-10-3-5-13(7-11(10)2)21(19,20)18-15-6-4-12(9-17)8-14(15)16/h3-8,18H,1-2H3
InChIKeyXRIDOFRXLCBNNO-UHFFFAOYSA-N
XLogP3.63
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-chloro-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107806926
5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 103791841
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
CID 107809240
N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831780
N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107810157
2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide
CID 107810158
4-amino-N-(2-bromo-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107796855
3-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806930
2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 103988464
4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 26979603

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide (CID 103791853) is N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2Cl)cc1C.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is XRIDOFRXLCBNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-10-3-5-13(7-11(10)2)21(19,20)18-15-6-4-12(9-17)8-14(15)16/h3-8,18H,1-2H3.
What are the key properties of N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide?
N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 320.80 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 103791853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).