4-fluoro-3-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide

C16H15F4NO3S — CID 95367399

IUPAC4-fluoro-3-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)ccc1F
InChIInChI=1S/C16H15F4NO3S/c1-11-9-13(7-8-14(11)17)25(23,24)21-10-15(22,16(18,19)20)12-5-3-2-4-6-12/h2-9,21-22H,10H2,1H3/t15-/m1/s1
InChIKeyQTFNSESXBFVRMZ-OAHLLOKOSA-N
MW377.36 g/mol
LogP2.86
Rot. Bonds5

About 4-fluoro-3-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide

4-fluoro-3-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide (PubChem CID 95367399) has the molecular formula C16H15F4NO3S and a molecular weight of 377.36 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide
PubChem CID95367399
Molecular FormulaC16H15F4NO3S
Molecular Weight377.36 g/mol
Exact Mass377.07
IUPAC Name4-fluoro-3-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)ccc1F
InChIInChI=1S/C16H15F4NO3S/c1-11-9-13(7-8-14(11)17)25(23,24)21-10-15(22,16(18,19)20)12-5-3-2-4-6-12/h2-9,21-22H,10H2,1H3/t15-/m1/s1
InChIKeyQTFNSESXBFVRMZ-OAHLLOKOSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-3-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide (CID 95367399) is 4-fluoro-3-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide?
The InChIKey is QTFNSESXBFVRMZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15F4NO3S/c1-11-9-13(7-8-14(11)17)25(23,24)21-10-15(22,16(18,19)20)12-5-3-2-4-6-12/h2-9,21-22H,10H2,1H3/t15-/m1/s1.
What are the key properties of 4-fluoro-3-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide has a molecular weight of 377.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide is sourced from PubChem (CID 95367399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).