N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide

C15H16F3NO3S2 — CID 97417526

IUPACN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C)s1
InChIInChI=1S/C15H16F3NO3S2/c1-10-3-8-14(23-10)13(22-2)9-19-24(20,21)12-6-4-11(5-7-12)15(16,17)18/h3-8,13,19H,9H2,1-2H3/t13-/m0/s1
InChIKeyWSYLBENLPNYJCR-ZDUSSCGKSA-N
MW379.43 g/mol
LogP3.74
Rot. Bonds6

About N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide

N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 97417526) has the molecular formula C15H16F3NO3S2 and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID97417526
Molecular FormulaC15H16F3NO3S2
Molecular Weight379.43 g/mol
Exact Mass379.05
IUPAC NameN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C)s1
InChIInChI=1S/C15H16F3NO3S2/c1-10-3-8-14(23-10)13(22-2)9-19-24(20,21)12-6-4-11(5-7-12)15(16,17)18/h3-8,13,19H,9H2,1-2H3/t13-/m0/s1
InChIKeyWSYLBENLPNYJCR-ZDUSSCGKSA-N
XLogP3.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)methanesulfonamide
CID 56764045
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-5-methylthiophene-2-sulfonamide
CID 56765475
1-(3,5-Difluorophenyl)-N-[2-methoxy-2-(thiophen-3-YL)ethyl]methanesulfonamide
CID 71804783
N-[2-(3-fluorophenyl)-2-methoxyethyl]-5-methylthiophene-2-sulfonamide
CID 73168429
(4-fluoro-2-tolylsulfonyl)[(R)-2-methoxy-2-(3-thienyl)ethyl]amine
CID 97414469
[(R)-2-methoxy-2-(3-thienyl)ethyl][m-(trifluoromethyl)phenylsulfonyl]amine
CID 97414489
(o-fluorophenylsulfonyl)[(S)-2-methoxy-2-(5-methyl-2-thienyl)ethyl]amine
CID 97417510
[(S)-2-(5-chloro-2-thienyl)-2-methoxyethyl][(2,5-difluorophenyl)methylsulfonyl]amine
CID 100729745
(5-ethyl-2-thienylsulfonyl)[(R)-2-methoxy-2-(3-thienyl)ethyl]amine
CID 97414473
[(S)-2-methoxy-2-(5-methyl-2-thienyl)ethyl][(m-tolyl)methylsulfonyl]amine
CID 97417513
(2-thienylsulfonyl)[(R)-2-methoxy-2-phenylbutyl]amine
CID 97428632
1-(3,5-difluorophenyl)-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]methanesulfonamide
CID 97414493

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (CID 97417526) is N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is CO[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C)s1.
What is the InChIKey of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WSYLBENLPNYJCR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16F3NO3S2/c1-10-3-8-14(23-10)13(22-2)9-19-24(20,21)12-6-4-11(5-7-12)15(16,17)18/h3-8,13,19H,9H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 379.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 97417526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).