4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide

C15H16FNO2S — CID 26968411

IUPAC4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide
SMILESCC(C)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H16FNO2S/c1-11(2)12-4-3-5-14(10-12)17-20(18,19)15-8-6-13(16)7-9-15/h3-11,17H,1-2H3
InChIKeyZHIJYPPTSWWQDG-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.75
Rot. Bonds4

About 4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide

4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 26968411) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide
PubChem CID26968411
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide
SMILESCC(C)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H16FNO2S/c1-11(2)12-4-3-5-14(10-12)17-20(18,19)15-8-6-13(16)7-9-15/h3-11,17H,1-2H3
InChIKeyZHIJYPPTSWWQDG-UHFFFAOYSA-N
XLogP3.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethylphenyl]benzenesulfonamide;N-phenyl-4-propan-2-ylbenzenesulfonamide
CID 70138707
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3860471
2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 86839558
N-[3-(1-aminoethyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 43167031
N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide
CID 4797328
molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076
2-oxo-N-(3-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8519442
4-hydroxy-3-nitro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 31580529
3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 18084674
2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43508632
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
4-[(3-hydroxy-2-nitrosophenyl)methylamino]-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 170288331

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide (CID 26968411) is 4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide is CC(C)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is ZHIJYPPTSWWQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-11(2)12-4-3-5-14(10-12)17-20(18,19)15-8-6-13(16)7-9-15/h3-11,17H,1-2H3.
What are the key properties of 4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide?
4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 293.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 26968411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).