N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide

C13H17F3N2O2S — CID 124516977

IUPACN-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESC[C@H]1CNCC[C@@H]1NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2S/c1-9-8-17-7-6-11(9)18-21(19,20)12-5-3-2-4-10(12)13(14,15)16/h2-5,9,11,17-18H,6-8H2,1H3/t9-,11-/m0/s1
InChIKeyAPEVGEIMINCIOT-ONGXEEELSA-N
MW322.35 g/mol
LogP1.98
Rot. Bonds3

About N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide

N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 124516977) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID124516977
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC NameN-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESC[C@H]1CNCC[C@@H]1NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2S/c1-9-8-17-7-6-11(9)18-21(19,20)12-5-3-2-4-10(12)13(14,15)16/h2-5,9,11,17-18H,6-8H2,1H3/t9-,11-/m0/s1
InChIKeyAPEVGEIMINCIOT-ONGXEEELSA-N
XLogP1.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3S,4S)-3-methylpiperidin-4-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

Related Compounds

N-(3-methylpiperidin-4-yl)quinoline-8-sulfonamide
CID 120724842
methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 120724853
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725034
methyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 120724941
N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 120724798
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725276
4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 124516981
2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725186
4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 120725200
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide
CID 104953174
3-chloro-2-cyano-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725253
2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120723086

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 124516977) is N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide is C[C@H]1CNCC[C@@H]1NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is APEVGEIMINCIOT-ONGXEEELSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-9-8-17-7-6-11(9)18-21(19,20)12-5-3-2-4-10(12)13(14,15)16/h2-5,9,11,17-18H,6-8H2,1H3/t9-,11-/m0/s1.
What are the key properties of N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide?
N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 322.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 124516977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).