N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide

C15H15F2NO2S — CID 4797328

IUPACN-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H15F2NO2S/c1-10(2)11-3-6-13(7-4-11)21(19,20)18-12-5-8-14(16)15(17)9-12/h3-10,18H,1-2H3
InChIKeyNOMXWIQTJPYTJX-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.89
Rot. Bonds4

About N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide

N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 4797328) has the molecular formula C15H15F2NO2S and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID4797328
Molecular FormulaC15H15F2NO2S
Molecular Weight311.35 g/mol
Exact Mass311.08
IUPAC NameN-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H15F2NO2S/c1-10(2)11-3-6-13(7-4-11)21(19,20)18-12-5-8-14(16)15(17)9-12/h3-10,18H,1-2H3
InChIKeyNOMXWIQTJPYTJX-UHFFFAOYSA-N
XLogP3.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
4-amino-N-(3,4-difluorophenyl)benzenesulfonamide
CID 16790684
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
CID 134040610
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 22774481
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202745
4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 26968411
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3860471
N-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide
CID 8518583

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide (CID 4797328) is N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is NOMXWIQTJPYTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2S/c1-10(2)11-3-6-13(7-4-11)21(19,20)18-12-5-8-14(16)15(17)9-12/h3-10,18H,1-2H3.
What are the key properties of N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide?
N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 311.35 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 4797328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).