4-(cyclohexylamino)-N-(2-cyclopropylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide

C19H27F3N2O2S — CID 24945994

IUPAC4-(cyclohexylamino)-N-(2-cyclopropylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(NC2CCCCC2)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C19H27F3N2O2S/c1-18(2,13-8-9-13)24-27(25,26)17-11-10-15(12-16(17)19(20,21)22)23-14-6-4-3-5-7-14/h10-14,23-24H,3-9H2,1-2H3
InChIKeySAFPVFNYBFBXRR-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.92
Rot. Bonds6

About 4-(cyclohexylamino)-N-(2-cyclopropylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide

4-(cyclohexylamino)-N-(2-cyclopropylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 24945994) has the molecular formula C19H27F3N2O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N-(2-cyclopropylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N-(2-cyclopropylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID24945994
Molecular FormulaC19H27F3N2O2S
Molecular Weight404.50 g/mol
Exact Mass404.17
IUPAC Name4-(cyclohexylamino)-N-(2-cyclopropylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(NC2CCCCC2)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C19H27F3N2O2S/c1-18(2,13-8-9-13)24-27(25,26)17-11-10-15(12-16(17)19(20,21)22)23-14-6-4-3-5-7-14/h10-14,23-24H,3-9H2,1-2H3
InChIKeySAFPVFNYBFBXRR-UHFFFAOYSA-N
XLogP4.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(cyclohexylamino)-N-(2-cyclopropylpropan-2-yl)-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-(cyclohexylamino)-N-(2-cyclopropylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-(cyclohexylamino)-N-(2-cyclopropylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 24945994) is 4-(cyclohexylamino)-N-(2-cyclopropylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-(cyclohexylamino)-N-(2-cyclopropylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-(cyclohexylamino)-N-(2-cyclopropylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide is CC(C)(NS(=O)(=O)c1ccc(NC2CCCCC2)cc1C(F)(F)F)C1CC1.
What is the InChIKey of 4-(cyclohexylamino)-N-(2-cyclopropylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SAFPVFNYBFBXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O2S/c1-18(2,13-8-9-13)24-27(25,26)17-11-10-15(12-16(17)19(20,21)22)23-14-6-4-3-5-7-14/h10-14,23-24H,3-9H2,1-2H3.
What are the key properties of 4-(cyclohexylamino)-N-(2-cyclopropylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
4-(cyclohexylamino)-N-(2-cyclopropylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 404.50 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N-(2-cyclopropylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24945994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).