N-(3-chloro-2-cyanophenyl)-2,5-difluorobenzenesulfonamide

C13H7ClF2N2O2S — CID 125467787

IUPACN-(3-chloro-2-cyanophenyl)-2,5-difluorobenzenesulfonamide
SMILESN#Cc1c(Cl)cccc1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H7ClF2N2O2S/c14-10-2-1-3-12(9(10)7-17)18-21(19,20)13-6-8(15)4-5-11(13)16/h1-6,18H
InChIKeyXMGLCKYVOVOFJA-UHFFFAOYSA-N
MW328.73 g/mol
LogP3.29
Rot. Bonds3

About N-(3-chloro-2-cyanophenyl)-2,5-difluorobenzenesulfonamide

N-(3-chloro-2-cyanophenyl)-2,5-difluorobenzenesulfonamide (PubChem CID 125467787) has the molecular formula C13H7ClF2N2O2S and a molecular weight of 328.73 g/mol. Its IUPAC name is N-(3-chloro-2-cyanophenyl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-cyanophenyl)-2,5-difluorobenzenesulfonamide
PubChem CID125467787
Molecular FormulaC13H7ClF2N2O2S
Molecular Weight328.73 g/mol
Exact Mass327.99
IUPAC NameN-(3-chloro-2-cyanophenyl)-2,5-difluorobenzenesulfonamide
SMILESN#Cc1c(Cl)cccc1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H7ClF2N2O2S/c14-10-2-1-3-12(9(10)7-17)18-21(19,20)13-6-8(15)4-5-11(13)16/h1-6,18H
InChIKeyXMGLCKYVOVOFJA-UHFFFAOYSA-N
XLogP3.29
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.73
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
N-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 103920662
2,5-difluoro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 43090875
2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide
CID 115972540
2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide
CID 43236177
N-(2-bromo-3-chlorophenyl)-2,4-difluorobenzenesulfonamide
CID 103480186
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
5-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 110759379
N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 26969917

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-cyanophenyl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(3-chloro-2-cyanophenyl)-2,5-difluorobenzenesulfonamide (CID 125467787) is N-(3-chloro-2-cyanophenyl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-cyanophenyl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-cyanophenyl)-2,5-difluorobenzenesulfonamide is N#Cc1c(Cl)cccc1NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(3-chloro-2-cyanophenyl)-2,5-difluorobenzenesulfonamide?
The InChIKey is XMGLCKYVOVOFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2O2S/c14-10-2-1-3-12(9(10)7-17)18-21(19,20)13-6-8(15)4-5-11(13)16/h1-6,18H.
What are the key properties of N-(3-chloro-2-cyanophenyl)-2,5-difluorobenzenesulfonamide?
N-(3-chloro-2-cyanophenyl)-2,5-difluorobenzenesulfonamide has a molecular weight of 328.73 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-cyanophenyl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 125467787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).