N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide

C14H19F3N2O2S — CID 119958876

IUPACN-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESNC1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CCCCC1
InChIInChI=1S/C14H19F3N2O2S/c15-14(16,17)11-4-6-12(7-5-11)22(20,21)19-10-13(18)8-2-1-3-9-13/h4-7,19H,1-3,8-10,18H2
InChIKeyAABKWLNXUXSYSL-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.65
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide

N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 119958876) has the molecular formula C14H19F3N2O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID119958876
Molecular FormulaC14H19F3N2O2S
Molecular Weight336.38 g/mol
Exact Mass336.11
IUPAC NameN-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESNC1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CCCCC1
InChIInChI=1S/C14H19F3N2O2S/c15-14(16,17)11-4-6-12(7-5-11)22(20,21)19-10-13(18)8-2-1-3-9-13/h4-7,19H,1-3,8-10,18H2
InChIKeyAABKWLNXUXSYSL-UHFFFAOYSA-N
XLogP2.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-aminocyclohexyl)methyl]-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-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119958872
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
N-[(1-aminocyclohexyl)methyl]-4-cyanobenzenesulfonamide
CID 43598191
N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 43598226
N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide
CID 43598214
N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 43598256
methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride
CID 119958825
N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720704
N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide
CID 113411790
N-[(1-aminocyclohexyl)methyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 119958904
N-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride
CID 119958914
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 60776396

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide (CID 119958876) is N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide is NC1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AABKWLNXUXSYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2S/c15-14(16,17)11-4-6-12(7-5-11)22(20,21)19-10-13(18)8-2-1-3-9-13/h4-7,19H,1-3,8-10,18H2.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 336.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 119958876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).