N-[4-methyl-3-(propan-2-ylamino)phenyl]-3-(trifluoromethyl)benzenesulfonamide

C17H19F3N2O2S — CID 146621755

IUPACN-[4-methyl-3-(propan-2-ylamino)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1NC(C)C
InChIInChI=1S/C17H19F3N2O2S/c1-11(2)21-16-10-14(8-7-12(16)3)22-25(23,24)15-6-4-5-13(9-15)17(18,19)20/h4-11,21-22H,1-3H3
InChIKeyJMBPZATZTHLJFG-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.63
Rot. Bonds5

About N-[4-methyl-3-(propan-2-ylamino)phenyl]-3-(trifluoromethyl)benzenesulfonamide

N-[4-methyl-3-(propan-2-ylamino)phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 146621755) has the molecular formula C17H19F3N2O2S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[4-methyl-3-(propan-2-ylamino)phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-methyl-3-(propan-2-ylamino)phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID146621755
Molecular FormulaC17H19F3N2O2S
Molecular Weight372.41 g/mol
Exact Mass372.11
IUPAC NameN-[4-methyl-3-(propan-2-ylamino)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1NC(C)C
InChIInChI=1S/C17H19F3N2O2S/c1-11(2)21-16-10-14(8-7-12(16)3)22-25(23,24)15-6-4-5-13(9-15)17(18,19)20/h4-11,21-22H,1-3H3
InChIKeyJMBPZATZTHLJFG-UHFFFAOYSA-N
XLogP4.63
TPSA58.20 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 ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(propan-2-ylamino)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-methyl-3-(propan-2-ylamino)phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 146621755) is N-[4-methyl-3-(propan-2-ylamino)phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-methyl-3-(propan-2-ylamino)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-methyl-3-(propan-2-ylamino)phenyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1NC(C)C.
What is the InChIKey of N-[4-methyl-3-(propan-2-ylamino)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JMBPZATZTHLJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2S/c1-11(2)21-16-10-14(8-7-12(16)3)22-25(23,24)15-6-4-5-13(9-15)17(18,19)20/h4-11,21-22H,1-3H3.
What are the key properties of N-[4-methyl-3-(propan-2-ylamino)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[4-methyl-3-(propan-2-ylamino)phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 372.41 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(propan-2-ylamino)phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 146621755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).