N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide

C12H7ClF3NO2S — CID 8501061

IUPACN-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H7ClF3NO2S/c13-9-5-7(1-3-10(9)14)17-20(18,19)8-2-4-11(15)12(16)6-8/h1-6,17H
InChIKeyFZYZCBQDLVSLMH-UHFFFAOYSA-N
MW321.71 g/mol
LogP3.56
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide

N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide (PubChem CID 8501061) has the molecular formula C12H7ClF3NO2S and a molecular weight of 321.71 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
PubChem CID8501061
Molecular FormulaC12H7ClF3NO2S
Molecular Weight321.71 g/mol
Exact Mass320.98
IUPAC NameN-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H7ClF3NO2S/c13-9-5-7(1-3-10(9)14)17-20(18,19)8-2-4-11(15)12(16)6-8/h1-6,17H
InChIKeyFZYZCBQDLVSLMH-UHFFFAOYSA-N
XLogP3.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide
CID 64788086
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
CID 3702957
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 119041012
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537
N-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide
CID 110760029
3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide
CID 8603687
3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 8015629
2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629196
N-(3-chloro-4-fluorophenyl)sulfamoyl chloride
CID 84760554

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide (CID 8501061) is N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is FZYZCBQDLVSLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO2S/c13-9-5-7(1-3-10(9)14)17-20(18,19)8-2-4-11(15)12(16)6-8/h1-6,17H.
What are the key properties of N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide?
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide has a molecular weight of 321.71 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 8501061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).