N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide

C13H19F3N2O2S — CID 80697633

IUPACN-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H19F3N2O2S/c1-2-3-4-11(9-17)18-21(19,20)12-7-5-10(6-8-12)13(14,15)16/h5-8,11,18H,2-4,9,17H2,1H3
InChIKeyROECTRGLPWNZLO-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.50
Rot. Bonds7

About N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide

N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 80697633) has the molecular formula C13H19F3N2O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID80697633
Molecular FormulaC13H19F3N2O2S
Molecular Weight324.37 g/mol
Exact Mass324.11
IUPAC NameN-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H19F3N2O2S/c1-2-3-4-11(9-17)18-21(19,20)12-7-5-10(6-8-12)13(14,15)16/h5-8,11,18H,2-4,9,17H2,1H3
InChIKeyROECTRGLPWNZLO-UHFFFAOYSA-N
XLogP2.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-aminohexan-2-yl)-4-(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

Related Compounds

N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119992966
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 80697787
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
N-(1-aminohexan-2-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119993302
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119993234
N-(1-aminohexan-2-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86813393
N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride
CID 119993076
N-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide
CID 119992937
4-(1-aminohexan-2-ylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
CID 120712524
N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119993050

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 80697633) is N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide is CCCCC(CN)NS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ROECTRGLPWNZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2S/c1-2-3-4-11(9-17)18-21(19,20)12-7-5-10(6-8-12)13(14,15)16/h5-8,11,18H,2-4,9,17H2,1H3.
What are the key properties of N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide?
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 324.37 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 80697633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).