4-(cyclohexylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide

C17H23F3N2O2S — CID 24946358

IUPAC4-(cyclohexylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(NC2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C17H23F3N2O2S/c18-17(19,20)15-10-14(22-13-4-2-1-3-5-13)8-9-16(15)25(23,24)21-11-12-6-7-12/h8-10,12-13,21-22H,1-7,11H2
InChIKeyVVDBGAGVTDFSCQ-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.14
Rot. Bonds6

About 4-(cyclohexylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide

4-(cyclohexylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 24946358) has the molecular formula C17H23F3N2O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID24946358
Molecular FormulaC17H23F3N2O2S
Molecular Weight376.44 g/mol
Exact Mass376.14
IUPAC Name4-(cyclohexylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(NC2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C17H23F3N2O2S/c18-17(19,20)15-10-14(22-13-4-2-1-3-5-13)8-9-16(15)25(23,24)21-11-12-6-7-12/h8-10,12-13,21-22H,1-7,11H2
InChIKeyVVDBGAGVTDFSCQ-UHFFFAOYSA-N
XLogP4.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-(cyclohexylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide (CID 24946358) is 4-(cyclohexylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-(cyclohexylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-(cyclohexylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC1CC1)c1ccc(NC2CCCCC2)cc1C(F)(F)F.
What is the InChIKey of 4-(cyclohexylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VVDBGAGVTDFSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2S/c18-17(19,20)15-10-14(22-13-4-2-1-3-5-13)8-9-16(15)25(23,24)21-11-12-6-7-12/h8-10,12-13,21-22H,1-7,11H2.
What are the key properties of 4-(cyclohexylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
4-(cyclohexylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 376.44 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24946358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).