(4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide

C12H16F3NO2S — CID 164942055

IUPAC(4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide
SMILESCC(C[C@H](C)c1cccc(C(F)(F)F)c1)S(N)(=O)=O
InChIInChI=1S/C12H16F3NO2S/c1-8(6-9(2)19(16,17)18)10-4-3-5-11(7-10)12(13,14)15/h3-5,7-9H,6H2,1-2H3,(H2,16,17,18)/t8-,9?/m0/s1
InChIKeyNXDOQRHKWGNEFP-IENPIDJESA-N
MW295.33 g/mol
LogP2.88
Rot. Bonds4

About (4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide

(4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide (PubChem CID 164942055) has the molecular formula C12H16F3NO2S and a molecular weight of 295.33 g/mol. Its IUPAC name is (4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide.

Molecular Properties

Compound Name(4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide
PubChem CID164942055
Molecular FormulaC12H16F3NO2S
Molecular Weight295.33 g/mol
Exact Mass295.09
IUPAC Name(4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide
SMILESCC(C[C@H](C)c1cccc(C(F)(F)F)c1)S(N)(=O)=O
InChIInChI=1S/C12H16F3NO2S/c1-8(6-9(2)19(16,17)18)10-4-3-5-11(7-10)12(13,14)15/h3-5,7-9H,6H2,1-2H3,(H2,16,17,18)/t8-,9?/m0/s1
InChIKeyNXDOQRHKWGNEFP-IENPIDJESA-N
XLogP2.88
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 64718997
1-(4-chloropentan-2-yl)-3-(trifluoromethyl)benzene
CID 64718796
N-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 64718532
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
1-(1-chloropropan-2-yl)-3-(trifluoromethyl)benzene
CID 12697049
2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 115850671
N'-methyl-N'-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54938195
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
1,1,1-trifluoro-4-phenylpentane-2-sulfonamide
CID 114827711
5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine
CID 112509136
N-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43606280
2-amino-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]ethanesulfonamide;hydrochloride
CID 130332257

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide?
The IUPAC name of (4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide (CID 164942055) is (4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide.
What is the SMILES notation for (4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide?
The canonical SMILES for (4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide is CC(C[C@H](C)c1cccc(C(F)(F)F)c1)S(N)(=O)=O.
What is the InChIKey of (4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide?
The InChIKey is NXDOQRHKWGNEFP-IENPIDJESA-N. The full InChI is InChI=1S/C12H16F3NO2S/c1-8(6-9(2)19(16,17)18)10-4-3-5-11(7-10)12(13,14)15/h3-5,7-9H,6H2,1-2H3,(H2,16,17,18)/t8-,9?/m0/s1.
What are the key properties of (4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide?
(4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide has a molecular weight of 295.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide is sourced from PubChem (CID 164942055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).