N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

C13H12F3NO2S2 — CID 2738339

IUPACN-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(C(F)(F)F)c1)NCc1cccs1
InChIInChI=1S/C13H12F3NO2S2/c14-13(15,16)11-4-1-3-10(7-11)9-21(18,19)17-8-12-5-2-6-20-12/h1-7,17H,8-9H2
InChIKeyDCIHAQDNPMFQFO-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.39
Rot. Bonds5

About N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 2738339) has the molecular formula C13H12F3NO2S2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID2738339
Molecular FormulaC13H12F3NO2S2
Molecular Weight335.37 g/mol
Exact Mass335.03
IUPAC NameN-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(C(F)(F)F)c1)NCc1cccs1
InChIInChI=1S/C13H12F3NO2S2/c14-13(15,16)11-4-1-3-10(7-11)9-21(18,19)17-8-12-5-2-6-20-12/h1-7,17H,8-9H2
InChIKeyDCIHAQDNPMFQFO-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (CID 2738339) is N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1cccc(C(F)(F)F)c1)NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is DCIHAQDNPMFQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2S2/c14-13(15,16)11-4-1-3-10(7-11)9-21(18,19)17-8-12-5-2-6-20-12/h1-7,17H,8-9H2.
What are the key properties of N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 335.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 2738339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).