(1S)-N,N-dimethyl-1-[4-(trifluoromethyl)phenyl]pentane-1-sulfonamide

C14H20F3NO2S — CID 91798427

IUPAC(1S)-N,N-dimethyl-1-[4-(trifluoromethyl)phenyl]pentane-1-sulfonamide
SMILESCCCC[C@@H](c1ccc(C(F)(F)F)cc1)S(=O)(=O)N(C)C
InChIInChI=1S/C14H20F3NO2S/c1-4-5-6-13(21(19,20)18(2)3)11-7-9-12(10-8-11)14(15,16)17/h7-10,13H,4-6H2,1-3H3/t13-/m0/s1
InChIKeyHZUTVSOKIKCDIV-ZDUSSCGKSA-N
MW323.38 g/mol
LogP3.83
Rot. Bonds6

About (1S)-N,N-dimethyl-1-[4-(trifluoromethyl)phenyl]pentane-1-sulfonamide

(1S)-N,N-dimethyl-1-[4-(trifluoromethyl)phenyl]pentane-1-sulfonamide (PubChem CID 91798427) has the molecular formula C14H20F3NO2S and a molecular weight of 323.38 g/mol. Its IUPAC name is (1S)-N,N-dimethyl-1-[4-(trifluoromethyl)phenyl]pentane-1-sulfonamide.

Molecular Properties

Compound Name(1S)-N,N-dimethyl-1-[4-(trifluoromethyl)phenyl]pentane-1-sulfonamide
PubChem CID91798427
Molecular FormulaC14H20F3NO2S
Molecular Weight323.38 g/mol
Exact Mass323.12
IUPAC Name(1S)-N,N-dimethyl-1-[4-(trifluoromethyl)phenyl]pentane-1-sulfonamide
SMILESCCCC[C@@H](c1ccc(C(F)(F)F)cc1)S(=O)(=O)N(C)C
InChIInChI=1S/C14H20F3NO2S/c1-4-5-6-13(21(19,20)18(2)3)11-7-9-12(10-8-11)14(15,16)17/h7-10,13H,4-6H2,1-3H3/t13-/m0/s1
InChIKeyHZUTVSOKIKCDIV-ZDUSSCGKSA-N
XLogP3.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171199061
1-heptan-2-yl-4-(trifluoromethyl)benzene
CID 167049973
N-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide
CID 61383811
1-[(1R)-1-ethylsulfonylethyl]-4-(trifluoromethyl)benzene
CID 95322532
[(1R,4R)-4-methylsulfonyloxy-1,4-bis[4-(trifluoromethyl)phenyl]butyl] methanesulfonate
CID 122394942
1-heptan-2-ylsulfonyl-4-(trifluoromethyl)benzene
CID 154349381
(2R)-2-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-N-methyl-N-phenylhexanamide
CID 53488220
N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine
CID 143698340
N-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine
CID 63944741
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 80697633
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119992966
1-[1-[di(propan-2-yloxy)methoxy]decyl]-4-(trifluoromethyl)benzene
CID 150394828

Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dimethyl-1-[4-(trifluoromethyl)phenyl]pentane-1-sulfonamide?
The IUPAC name of (1S)-N,N-dimethyl-1-[4-(trifluoromethyl)phenyl]pentane-1-sulfonamide (CID 91798427) is (1S)-N,N-dimethyl-1-[4-(trifluoromethyl)phenyl]pentane-1-sulfonamide.
What is the SMILES notation for (1S)-N,N-dimethyl-1-[4-(trifluoromethyl)phenyl]pentane-1-sulfonamide?
The canonical SMILES for (1S)-N,N-dimethyl-1-[4-(trifluoromethyl)phenyl]pentane-1-sulfonamide is CCCC[C@@H](c1ccc(C(F)(F)F)cc1)S(=O)(=O)N(C)C.
What is the InChIKey of (1S)-N,N-dimethyl-1-[4-(trifluoromethyl)phenyl]pentane-1-sulfonamide?
The InChIKey is HZUTVSOKIKCDIV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20F3NO2S/c1-4-5-6-13(21(19,20)18(2)3)11-7-9-12(10-8-11)14(15,16)17/h7-10,13H,4-6H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-N,N-dimethyl-1-[4-(trifluoromethyl)phenyl]pentane-1-sulfonamide?
(1S)-N,N-dimethyl-1-[4-(trifluoromethyl)phenyl]pentane-1-sulfonamide has a molecular weight of 323.38 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dimethyl-1-[4-(trifluoromethyl)phenyl]pentane-1-sulfonamide is sourced from PubChem (CID 91798427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).