N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide

C12H7F4NO2S — CID 7788321

IUPACN-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H7F4NO2S/c13-9-3-1-7(5-11(9)15)17-20(18,19)8-2-4-10(14)12(16)6-8/h1-6,17H
InChIKeyCPWMPJZMQPIUGC-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.04
Rot. Bonds3

About N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide

N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide (PubChem CID 7788321) has the molecular formula C12H7F4NO2S and a molecular weight of 305.25 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
PubChem CID7788321
Molecular FormulaC12H7F4NO2S
Molecular Weight305.25 g/mol
Exact Mass305.01
IUPAC NameN-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H7F4NO2S/c13-9-3-1-7(5-11(9)15)17-20(18,19)8-2-4-10(14)12(16)6-8/h1-6,17H
InChIKeyCPWMPJZMQPIUGC-UHFFFAOYSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
4-amino-N-(3,4-difluorophenyl)benzenesulfonamide
CID 16790684
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537
N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
CID 3702957
N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide
CID 64788086
N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide
CID 4797328
N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide
CID 43167024
N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide
CID 8504738
3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 22774852
N-(3,4-difluorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 4876032

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide (CID 7788321) is N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is CPWMPJZMQPIUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO2S/c13-9-3-1-7(5-11(9)15)17-20(18,19)8-2-4-10(14)12(16)6-8/h1-6,17H.
What are the key properties of N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide?
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide has a molecular weight of 305.25 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 7788321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).