4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide

C12H8ClF2NO2S — CID 5241140

IUPAC4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClF2NO2S/c13-8-1-4-10(5-2-8)19(17,18)16-9-3-6-11(14)12(15)7-9/h1-7,16H
InChIKeyTZYPGJJFRHWUOW-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.42
Rot. Bonds3

About 4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide

4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide (PubChem CID 5241140) has the molecular formula C12H8ClF2NO2S and a molecular weight of 303.72 g/mol. Its IUPAC name is 4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
PubChem CID5241140
Molecular FormulaC12H8ClF2NO2S
Molecular Weight303.72 g/mol
Exact Mass302.99
IUPAC Name4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClF2NO2S/c13-8-1-4-10(5-2-8)19(17,18)16-9-3-6-11(14)12(15)7-9/h1-7,16H
InChIKeyTZYPGJJFRHWUOW-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
4-amino-N-(3,4-difluorophenyl)benzenesulfonamide
CID 16790684
N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide
CID 4797328
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
CID 3702957
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide
CID 64788086
3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 175722864
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide
CID 167860654
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide (CID 5241140) is 4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide?
The InChIKey is TZYPGJJFRHWUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO2S/c13-8-1-4-10(5-2-8)19(17,18)16-9-3-6-11(14)12(15)7-9/h1-7,16H.
What are the key properties of 4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide?
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide has a molecular weight of 303.72 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 5241140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).