2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide

C14H10Cl2N2O2S — CID 80696837

IUPAC2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O2S/c1-9-2-4-11(7-13(9)16)18-21(19,20)14-6-10(8-17)3-5-12(14)15/h2-7,18H,1H3
InChIKeyRFBHMBUKXHGTSQ-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.97
Rot. Bonds3

About 2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide

2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide (PubChem CID 80696837) has the molecular formula C14H10Cl2N2O2S and a molecular weight of 341.22 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide
PubChem CID80696837
Molecular FormulaC14H10Cl2N2O2S
Molecular Weight341.22 g/mol
Exact Mass339.98
IUPAC Name2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O2S/c1-9-2-4-11(7-13(9)16)18-21(19,20)14-6-10(8-17)3-5-12(14)15/h2-7,18H,1H3
InChIKeyRFBHMBUKXHGTSQ-UHFFFAOYSA-N
XLogP3.97
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 103988464
2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 103988582
2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide
CID 104922549
2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 80698371
2-chloro-5-cyano-N-(3-ethynylphenyl)benzenesulfonamide
CID 80696556
2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620941
3-[(5-cyano-2-methylphenyl)sulfonylamino]benzoic acid
CID 167981446
2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 80696701
N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996459
5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide
CID 106912855
2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 80704923
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide (CID 80696837) is 2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide?
The InChIKey is RFBHMBUKXHGTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S/c1-9-2-4-11(7-13(9)16)18-21(19,20)14-6-10(8-17)3-5-12(14)15/h2-7,18H,1H3.
What are the key properties of 2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide?
2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide has a molecular weight of 341.22 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide is sourced from PubChem (CID 80696837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).