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

C17H25F3N2O2S — CID 24946360

IUPACN-(cyclopropylmethyl)-4-(hexylamino)-2-(trifluoromethyl)benzenesulfonamide
SMILESCCCCCCNc1ccc(S(=O)(=O)NCC2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C17H25F3N2O2S/c1-2-3-4-5-10-21-14-8-9-16(15(11-14)17(18,19)20)25(23,24)22-12-13-6-7-13/h8-9,11,13,21-22H,2-7,10,12H2,1H3
InChIKeyCUQKQMWOBQHDGH-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.39
Rot. Bonds10

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

N-(cyclopropylmethyl)-4-(hexylamino)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 24946360) has the molecular formula C17H25F3N2O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(hexylamino)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(hexylamino)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID24946360
Molecular FormulaC17H25F3N2O2S
Molecular Weight378.46 g/mol
Exact Mass378.16
IUPAC NameN-(cyclopropylmethyl)-4-(hexylamino)-2-(trifluoromethyl)benzenesulfonamide
SMILESCCCCCCNc1ccc(S(=O)(=O)NCC2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C17H25F3N2O2S/c1-2-3-4-5-10-21-14-8-9-16(15(11-14)17(18,19)20)25(23,24)22-12-13-6-7-13/h8-9,11,13,21-22H,2-7,10,12H2,1H3
InChIKeyCUQKQMWOBQHDGH-UHFFFAOYSA-N
XLogP4.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(cyclopropylmethyl)-4-(hexylamino)-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 N-(cyclopropylmethyl)-4-(hexylamino)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(hexylamino)-2-(trifluoromethyl)benzenesulfonamide (CID 24946360) is N-(cyclopropylmethyl)-4-(hexylamino)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(hexylamino)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(hexylamino)-2-(trifluoromethyl)benzenesulfonamide is CCCCCCNc1ccc(S(=O)(=O)NCC2CC2)c(C(F)(F)F)c1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(hexylamino)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CUQKQMWOBQHDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O2S/c1-2-3-4-5-10-21-14-8-9-16(15(11-14)17(18,19)20)25(23,24)22-12-13-6-7-13/h8-9,11,13,21-22H,2-7,10,12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-4-(hexylamino)-2-(trifluoromethyl)benzenesulfonamide?
N-(cyclopropylmethyl)-4-(hexylamino)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 378.46 g/mol, XLogP of 4.39, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(hexylamino)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24946360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).