N-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide

C8H5ClF2N2O2S — CID 107808248

IUPACN-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)C(F)F)c(Cl)c1
InChIInChI=1S/C8H5ClF2N2O2S/c9-6-3-5(4-12)1-2-7(6)13-16(14,15)8(10)11/h1-3,8,13H
InChIKeyABFHWOXFTNFSFO-UHFFFAOYSA-N
MW266.66 g/mol
LogP2.18
Rot. Bonds3

About N-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide

N-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide (PubChem CID 107808248) has the molecular formula C8H5ClF2N2O2S and a molecular weight of 266.66 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide
PubChem CID107808248
Molecular FormulaC8H5ClF2N2O2S
Molecular Weight266.66 g/mol
Exact Mass265.97
IUPAC NameN-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)C(F)F)c(Cl)c1
InChIInChI=1S/C8H5ClF2N2O2S/c9-6-3-5(4-12)1-2-7(6)13-16(14,15)8(10)11/h1-3,8,13H
InChIKeyABFHWOXFTNFSFO-UHFFFAOYSA-N
XLogP2.18
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide
CID 107809713
N-(2-chloro-4-cyanophenyl)cyclopropanesulfonamide
CID 104693388
N-(4-amino-2-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 43550801
N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874
N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 28607007
N-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 103580529
5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide
CID 107806943
2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide
CID 107806945
N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 103791853
N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide
CID 107807709
N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
CID 107809240
2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide
CID 107810158

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide (CID 107808248) is N-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide is N#Cc1ccc(NS(=O)(=O)C(F)F)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide?
The InChIKey is ABFHWOXFTNFSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O2S/c9-6-3-5(4-12)1-2-7(6)13-16(14,15)8(10)11/h1-3,8,13H.
What are the key properties of N-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide?
N-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide has a molecular weight of 266.66 g/mol, XLogP of 2.18, 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)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 107808248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).