3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide

C13H12F2N2O2S — CID 43403537

IUPAC3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
SMILESCNc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C13H12F2N2O2S/c1-16-9-2-4-10(5-3-9)17-20(18,19)11-6-7-12(14)13(15)8-11/h2-8,16-17H,1H3
InChIKeyIQKCZHFPTXCLMG-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.81
Rot. Bonds4

About 3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide

3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide (PubChem CID 43403537) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
PubChem CID43403537
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
SMILESCNc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C13H12F2N2O2S/c1-16-9-2-4-10(5-3-9)17-20(18,19)11-6-7-12(14)13(15)8-11/h2-8,16-17H,1H3
InChIKeyIQKCZHFPTXCLMG-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
4-[(3,4-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25335198
3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43604154
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
3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 22774852
N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide
CID 8504738
2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629196
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532718

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide (CID 43403537) is 3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide is CNc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide?
The InChIKey is IQKCZHFPTXCLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-16-9-2-4-10(5-3-9)17-20(18,19)11-6-7-12(14)13(15)8-11/h2-8,16-17H,1H3.
What are the key properties of 3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide?
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide has a molecular weight of 298.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 43403537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).