N-[2-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide

C13H12F3NO2S2 — CID 3440930

IUPACN-[2-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1cccc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C13H12F3NO2S2/c14-13(15,16)11-4-1-3-10(9-11)6-7-17-21(18,19)12-5-2-8-20-12/h1-5,8-9,17H,6-7H2
InChIKeyDAAUQFQEWWFFRO-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.29
Rot. Bonds5

About N-[2-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide

N-[2-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide (PubChem CID 3440930) has the molecular formula C13H12F3NO2S2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide
PubChem CID3440930
Molecular FormulaC13H12F3NO2S2
Molecular Weight335.37 g/mol
Exact Mass335.03
IUPAC NameN-[2-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1cccc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C13H12F3NO2S2/c14-13(15,16)11-4-1-3-10(9-11)6-7-17-21(18,19)12-5-2-8-20-12/h1-5,8-9,17H,6-7H2
InChIKeyDAAUQFQEWWFFRO-UHFFFAOYSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide (CID 3440930) is N-[2-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCc1cccc(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide?
The InChIKey is DAAUQFQEWWFFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2S2/c14-13(15,16)11-4-1-3-10(9-11)6-7-17-21(18,19)12-5-2-8-20-12/h1-5,8-9,17H,6-7H2.
What are the key properties of N-[2-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide?
N-[2-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide has a molecular weight of 335.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3440930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).