N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide

C12H10F3NO2S2 — CID 697911

IUPACN-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3NO2S2/c13-12(14,15)9-3-1-5-11(7-9)20(17,18)16-8-10-4-2-6-19-10/h1-7,16H,8H2
InChIKeyBTWNMXUGTLWHFA-UHFFFAOYSA-N
MW321.35 g/mol
LogP3.25
Rot. Bonds4

About N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide

N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 697911) has the molecular formula C12H10F3NO2S2 and a molecular weight of 321.35 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID697911
Molecular FormulaC12H10F3NO2S2
Molecular Weight321.35 g/mol
Exact Mass321.01
IUPAC NameN-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3NO2S2/c13-12(14,15)9-3-1-5-11(7-9)20(17,18)16-8-10-4-2-6-19-10/h1-7,16H,8H2
InChIKeyBTWNMXUGTLWHFA-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 53.25
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)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 697911) is N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1cccs1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BTWNMXUGTLWHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2S2/c13-12(14,15)9-3-1-5-11(7-9)20(17,18)16-8-10-4-2-6-19-10/h1-7,16H,8H2.
What are the key properties of N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 321.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 697911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).