4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide

C15H15F2NO2S — CID 61060131

IUPAC4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15F2NO2S/c1-11(10-12-2-4-13(16)5-3-12)18-21(19,20)15-8-6-14(17)7-9-15/h2-9,11,18H,10H2,1H3
InChIKeyVDJMOLHPAJNSIW-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.87
Rot. Bonds5

About 4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide

4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide (PubChem CID 61060131) has the molecular formula C15H15F2NO2S and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide
PubChem CID61060131
Molecular FormulaC15H15F2NO2S
Molecular Weight311.35 g/mol
Exact Mass311.08
IUPAC Name4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15F2NO2S/c1-11(10-12-2-4-13(16)5-3-12)18-21(19,20)15-8-6-14(17)7-9-15/h2-9,11,18H,10H2,1H3
InChIKeyVDJMOLHPAJNSIW-UHFFFAOYSA-N
XLogP2.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide
CID 81265120
3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]propane-1-sulfonamide
CID 62997355
2-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-3-sulfonamide
CID 106062308
N-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide
CID 20931904
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
N-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 56728673
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665
N-[1-(4-fluorophenyl)propan-2-yl]-4-(methylamino)butane-1-sulfonamide
CID 106062305
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide
CID 40612538
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3994624

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide (CID 61060131) is 4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide is CC(Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide?
The InChIKey is VDJMOLHPAJNSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2S/c1-11(10-12-2-4-13(16)5-3-12)18-21(19,20)15-8-6-14(17)7-9-15/h2-9,11,18H,10H2,1H3.
What are the key properties of 4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide?
4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide has a molecular weight of 311.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 61060131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).