4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide

C13H8Cl2N2O2S — CID 60640379

IUPAC4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C13H8Cl2N2O2S/c14-11-2-1-3-12(15)13(11)17-20(18,19)10-6-4-9(8-16)5-7-10/h1-7,17H
InChIKeyNMILKVUQKXHPHC-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.67
Rot. Bonds3

About 4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide

4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide (PubChem CID 60640379) has the molecular formula C13H8Cl2N2O2S and a molecular weight of 327.19 g/mol. Its IUPAC name is 4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide
PubChem CID60640379
Molecular FormulaC13H8Cl2N2O2S
Molecular Weight327.19 g/mol
Exact Mass325.97
IUPAC Name4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C13H8Cl2N2O2S/c14-11-2-1-3-12(15)13(11)17-20(18,19)10-6-4-9(8-16)5-7-10/h1-7,17H
InChIKeyNMILKVUQKXHPHC-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-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide
CID 66254566
N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide
CID 78995732
4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 26979603
N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 112769183
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 114051867
3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 47309323
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
N-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106919890
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79043385
N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
CID 107809240

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide (CID 60640379) is 4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide?
The InChIKey is NMILKVUQKXHPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2S/c14-11-2-1-3-12(15)13(11)17-20(18,19)10-6-4-9(8-16)5-7-10/h1-7,17H.
What are the key properties of 4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide?
4-cyano-N-(2,6-dichlorophenyl)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 4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 60640379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).