1,1,1-trifluoro-4-phenylbutane-2-sulfonamide

C10H12F3NO2S — CID 114827612

IUPAC1,1,1-trifluoro-4-phenylbutane-2-sulfonamide
SMILESNS(=O)(=O)C(CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c11-10(12,13)9(17(14,15)16)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,14,15,16)
InChIKeyRNWHGHXBQBCBFT-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.84
Rot. Bonds4

About 1,1,1-trifluoro-4-phenylbutane-2-sulfonamide

1,1,1-trifluoro-4-phenylbutane-2-sulfonamide (PubChem CID 114827612) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-phenylbutane-2-sulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-4-phenylbutane-2-sulfonamide
PubChem CID114827612
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name1,1,1-trifluoro-4-phenylbutane-2-sulfonamide
SMILESNS(=O)(=O)C(CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c11-10(12,13)9(17(14,15)16)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,14,15,16)
InChIKeyRNWHGHXBQBCBFT-UHFFFAOYSA-N
XLogP1.84
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-4-phenylpentane-2-sulfonamide
CID 114827711
1,1,1-trifluoropentane-2-sulfonamide
CID 114827591
1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine
CID 175153498
1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine
CID 132588713
4-methyl-4-methylsulfonyl-1-phenylpentan-3-amine
CID 115794021
4-phenylbutan-2-yl sulfamate
CID 24761702
2-(2-phenylethyl)propanediamide
CID 66660020
(3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol
CID 129452595
(1-methoxy-5-phenylpentan-3-yl) sulfamate
CID 102287508
(3-tert-butyl-4,4-dimethylpentyl)benzene
CID 54223968
1,3-diphenylpropane-2-sulfonamide
CID 62084735
1-phenyl-4-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]benzene
CID 139124399

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-phenylbutane-2-sulfonamide?
The IUPAC name of 1,1,1-trifluoro-4-phenylbutane-2-sulfonamide (CID 114827612) is 1,1,1-trifluoro-4-phenylbutane-2-sulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-4-phenylbutane-2-sulfonamide?
The canonical SMILES for 1,1,1-trifluoro-4-phenylbutane-2-sulfonamide is NS(=O)(=O)C(CCc1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-phenylbutane-2-sulfonamide?
The InChIKey is RNWHGHXBQBCBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c11-10(12,13)9(17(14,15)16)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,14,15,16).
What are the key properties of 1,1,1-trifluoro-4-phenylbutane-2-sulfonamide?
1,1,1-trifluoro-4-phenylbutane-2-sulfonamide has a molecular weight of 267.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-phenylbutane-2-sulfonamide is sourced from PubChem (CID 114827612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).