N-(2-methylsulfanylphenyl)-2-(trifluoromethyl)benzenesulfonamide

C14H12F3NO2S2 — CID 4880810

IUPACN-(2-methylsulfanylphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H12F3NO2S2/c1-21-12-8-4-3-7-11(12)18-22(19,20)13-9-5-2-6-10(13)14(15,16)17/h2-9,18H,1H3
InChIKeyVHWFOGSMIKIMBM-UHFFFAOYSA-N
MW347.38 g/mol
LogP4.23
Rot. Bonds4

About N-(2-methylsulfanylphenyl)-2-(trifluoromethyl)benzenesulfonamide

N-(2-methylsulfanylphenyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 4880810) has the molecular formula C14H12F3NO2S2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID4880810
Molecular FormulaC14H12F3NO2S2
Molecular Weight347.38 g/mol
Exact Mass347.03
IUPAC NameN-(2-methylsulfanylphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H12F3NO2S2/c1-21-12-8-4-3-7-11(12)18-22(19,20)13-9-5-2-6-10(13)14(15,16)17/h2-9,18H,1H3
InChIKeyVHWFOGSMIKIMBM-UHFFFAOYSA-N
XLogP4.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2-(trifluoromethyl)benzenesulfonamide (CID 4880810) is N-(2-methylsulfanylphenyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2-(trifluoromethyl)benzenesulfonamide is CSc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-methylsulfanylphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VHWFOGSMIKIMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S2/c1-21-12-8-4-3-7-11(12)18-22(19,20)13-9-5-2-6-10(13)14(15,16)17/h2-9,18H,1H3.
What are the key properties of N-(2-methylsulfanylphenyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(2-methylsulfanylphenyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 347.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 4880810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).