3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide

C13H7Cl3N2O2S — CID 115588612

IUPAC3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C13H7Cl3N2O2S/c14-11-4-2-9(5-13(11)16)18-21(19,20)10-3-1-8(7-17)12(15)6-10/h1-6,18H
InChIKeyCZAXYPVMGKQMDJ-UHFFFAOYSA-N
MW361.64 g/mol
LogP4.32
Rot. Bonds3

About 3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide

3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide (PubChem CID 115588612) has the molecular formula C13H7Cl3N2O2S and a molecular weight of 361.64 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
PubChem CID115588612
Molecular FormulaC13H7Cl3N2O2S
Molecular Weight361.64 g/mol
Exact Mass359.93
IUPAC Name3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C13H7Cl3N2O2S/c14-11-4-2-9(5-13(11)16)18-21(19,20)10-3-1-8(7-17)12(15)6-10/h1-6,18H
InChIKeyCZAXYPVMGKQMDJ-UHFFFAOYSA-N
XLogP4.32
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.64
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
CID 106919707
6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide
CID 43236398
N-(3-chloro-4-cyanophenyl)-1H-pyrazole-4-sulfonamide
CID 54937392
N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004459
3-chloro-4-cyano-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 47309988
3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide
CID 47309083
3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide
CID 102990094
N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831840
3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide
CID 112684851
3-chloro-N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 103745721
3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide
CID 115619551
2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide
CID 61053173

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide (CID 115588612) is 3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of 3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide?
The InChIKey is CZAXYPVMGKQMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2O2S/c14-11-4-2-9(5-13(11)16)18-21(19,20)10-3-1-8(7-17)12(15)6-10/h1-6,18H.
What are the key properties of 3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide?
3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide has a molecular weight of 361.64 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 115588612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).