1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide

C8H6Cl2N2O2S — CID 107809713

IUPAC1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)CCl)c(Cl)c1
InChIInChI=1S/C8H6Cl2N2O2S/c9-5-15(13,14)12-8-2-1-6(4-11)3-7(8)10/h1-3,12H,5H2
InChIKeyPNDWBVGOXMTUKG-UHFFFAOYSA-N
MW265.12 g/mol
LogP2.15
Rot. Bonds3

About 1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide

1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide (PubChem CID 107809713) has the molecular formula C8H6Cl2N2O2S and a molecular weight of 265.12 g/mol. Its IUPAC name is 1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide
PubChem CID107809713
Molecular FormulaC8H6Cl2N2O2S
Molecular Weight265.12 g/mol
Exact Mass263.95
IUPAC Name1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)CCl)c(Cl)c1
InChIInChI=1S/C8H6Cl2N2O2S/c9-5-15(13,14)12-8-2-1-6(4-11)3-7(8)10/h1-3,12H,5H2
InChIKeyPNDWBVGOXMTUKG-UHFFFAOYSA-N
XLogP2.15
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-cyanophenyl)-1-chloromethanesulfonamide
CID 63666621
N-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 103580529
N-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 107808248
N-(2-chloro-4-cyanophenyl)cyclopropanesulfonamide
CID 104693388
N-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 64788737
N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 43237000
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 103791853
N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
CID 107809240
N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874
2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide
CID 107810158
4-amino-N-(2-chloro-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107806926

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide (CID 107809713) is 1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide is N#Cc1ccc(NS(=O)(=O)CCl)c(Cl)c1.
What is the InChIKey of 1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide?
The InChIKey is PNDWBVGOXMTUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2O2S/c9-5-15(13,14)12-8-2-1-6(4-11)3-7(8)10/h1-3,12H,5H2.
What are the key properties of 1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide?
1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide has a molecular weight of 265.12 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 107809713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).