4-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide

C18H19ClF3NO3S — CID 35391953

IUPAC4-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)OCc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C18H19ClF3NO3S/c1-12(2)26-11-14-6-4-3-5-13(14)10-23-27(24,25)17-8-7-15(19)9-16(17)18(20,21)22/h3-9,12,23H,10-11H2,1-2H3
InChIKeyDXNRKQHYFZASRQ-UHFFFAOYSA-N
MW421.87 g/mol
LogP4.76
Rot. Bonds7

About 4-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 35391953) has the molecular formula C18H19ClF3NO3S and a molecular weight of 421.87 g/mol. Its IUPAC name is 4-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID35391953
Molecular FormulaC18H19ClF3NO3S
Molecular Weight421.87 g/mol
Exact Mass421.07
IUPAC Name4-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)OCc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C18H19ClF3NO3S/c1-12(2)26-11-14-6-4-3-5-13(14)10-23-27(24,25)17-8-7-15(19)9-16(17)18(20,21)22/h3-9,12,23H,10-11H2,1-2H3
InChIKeyDXNRKQHYFZASRQ-UHFFFAOYSA-N
XLogP4.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.87
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide (CID 35391953) is 4-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide is CC(C)OCc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DXNRKQHYFZASRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3NO3S/c1-12(2)26-11-14-6-4-3-5-13(14)10-23-27(24,25)17-8-7-15(19)9-16(17)18(20,21)22/h3-9,12,23H,10-11H2,1-2H3.
What are the key properties of 4-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 421.87 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 35391953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).