4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide

C17H19F3N2O2S — CID 133340231

IUPAC4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide
SMILESCc1cccc(C(C)CNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)c1
InChIInChI=1S/C17H19F3N2O2S/c1-11-4-3-5-13(8-11)12(2)10-22-14-6-7-16(25(21,23)24)15(9-14)17(18,19)20/h3-9,12,22H,10H2,1-2H3,(H2,21,23,24)
InChIKeyGPVZKQGRKYSYMX-UHFFFAOYSA-N
MW372.41 g/mol
LogP3.88
Rot. Bonds5

About 4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide

4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 133340231) has the molecular formula C17H19F3N2O2S and a molecular weight of 372.41 g/mol. Its IUPAC name is 4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID133340231
Molecular FormulaC17H19F3N2O2S
Molecular Weight372.41 g/mol
Exact Mass372.11
IUPAC Name4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide
SMILESCc1cccc(C(C)CNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)c1
InChIInChI=1S/C17H19F3N2O2S/c1-11-4-3-5-13(8-11)12(2)10-22-14-6-7-16(25(21,23)24)15(9-14)17(18,19)20/h3-9,12,22H,10H2,1-2H3,(H2,21,23,24)
InChIKeyGPVZKQGRKYSYMX-UHFFFAOYSA-N
XLogP3.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide (CID 133340231) is 4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide is Cc1cccc(C(C)CNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)c1.
What is the InChIKey of 4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GPVZKQGRKYSYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2S/c1-11-4-3-5-13(8-11)12(2)10-22-14-6-7-16(25(21,23)24)15(9-14)17(18,19)20/h3-9,12,22H,10H2,1-2H3,(H2,21,23,24).
What are the key properties of 4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide?
4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 372.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 133340231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).