N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzenesulfonamide

C14H14F3NO3S2 — CID 97414489

IUPACN-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccsc1
InChIInChI=1S/C14H14F3NO3S2/c1-21-13(10-5-6-22-9-10)8-18-23(19,20)12-4-2-3-11(7-12)14(15,16)17/h2-7,9,13,18H,8H2,1H3/t13-/m0/s1
InChIKeySKMICTUUBYGFCV-ZDUSSCGKSA-N
MW365.40 g/mol
LogP3.43
Rot. Bonds6

About N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzenesulfonamide

N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 97414489) has the molecular formula C14H14F3NO3S2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID97414489
Molecular FormulaC14H14F3NO3S2
Molecular Weight365.40 g/mol
Exact Mass365.04
IUPAC NameN-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccsc1
InChIInChI=1S/C14H14F3NO3S2/c1-21-13(10-5-6-22-9-10)8-18-23(19,20)12-4-2-3-11(7-12)14(15,16)17/h2-7,9,13,18H,8H2,1H3/t13-/m0/s1
InChIKeySKMICTUUBYGFCV-ZDUSSCGKSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)-3-methylbenzenesulfonamide
CID 56764044
1-(4-fluorophenyl)-N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)methanesulfonamide
CID 56764045
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
N-(3-hydroxy-3-(thiophen-3-yl)propyl)-3-(trifluoromethyl)benzenesulfonamide
CID 86264144
(S)-1-(2-thienyl)-3-[m-(trifluoromethyl)phenylsulfonylamino]-1-propanol
CID 96350540
(4-fluoro-2-tolylsulfonyl)[(R)-2-methoxy-2-(3-thienyl)ethyl]amine
CID 97414469
(o-fluorophenylsulfonyl)[(S)-2-methoxy-2-(5-methyl-2-thienyl)ethyl]amine
CID 97417510
[(S)-2-methoxy-2-(5-methyl-2-thienyl)ethyl][p-(trifluoromethyl)phenylsulfonyl]amine
CID 97417526
[(S)-2-(5-chloro-2-thienyl)-2-methoxyethyl][(2,5-difluorophenyl)methylsulfonyl]amine
CID 100729745
1-(2-Chlorophenyl)-N-[2-methoxy-2-(thiophen-3-YL)ethyl]methanesulfonamide
CID 71804775
(5-ethyl-2-thienylsulfonyl)[(R)-2-methoxy-2-(3-thienyl)ethyl]amine
CID 97414473

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzenesulfonamide (CID 97414489) is N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzenesulfonamide is CO[C@@H](CNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccsc1.
What is the InChIKey of N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SKMICTUUBYGFCV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14F3NO3S2/c1-21-13(10-5-6-22-9-10)8-18-23(19,20)12-4-2-3-11(7-12)14(15,16)17/h2-7,9,13,18H,8H2,1H3/t13-/m0/s1.
What are the key properties of N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 365.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 97414489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).