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

C13H12F3NO2S2 — CID 112787970

IUPACN-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H12F3NO2S2/c1-17(21(18,19)12-6-3-7-20-12)9-10-4-2-5-11(8-10)13(14,15)16/h2-8H,9H2,1H3
InChIKeyFXZGLFZOZBTSMQ-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.59
Rot. Bonds4

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

N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide (PubChem CID 112787970) has the molecular formula C13H12F3NO2S2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
PubChem CID112787970
Molecular FormulaC13H12F3NO2S2
Molecular Weight335.37 g/mol
Exact Mass335.03
IUPAC NameN-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H12F3NO2S2/c1-17(21(18,19)12-6-3-7-20-12)9-10-4-2-5-11(8-10)13(14,15)16/h2-8H,9H2,1H3
InChIKeyFXZGLFZOZBTSMQ-UHFFFAOYSA-N
XLogP3.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide (CID 112787970) is N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide is CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide?
The InChIKey is FXZGLFZOZBTSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2S2/c1-17(21(18,19)12-6-3-7-20-12)9-10-4-2-5-11(8-10)13(14,15)16/h2-8H,9H2,1H3.
What are the key properties of N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide?
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide has a molecular weight of 335.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112787970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).