2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

C12H16ClF3N2O2S — CID 120725034

IUPAC2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCC1CNCCC1NS(=O)(=O)c1ccc(F)c(F)c1F.Cl
InChIInChI=1S/C12H15F3N2O2S.ClH/c1-7-6-16-5-4-9(7)17-20(18,19)10-3-2-8(13)11(14)12(10)15;/h2-3,7,9,16-17H,4-6H2,1H3;1H
InChIKeyGZYPCWPPHYXTBM-UHFFFAOYSA-N
MW344.79 g/mol
LogP1.80
Rot. Bonds3

About 2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 120725034) has the molecular formula C12H16ClF3N2O2S and a molecular weight of 344.79 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID120725034
Molecular FormulaC12H16ClF3N2O2S
Molecular Weight344.79 g/mol
Exact Mass344.06
IUPAC Name2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCC1CNCCC1NS(=O)(=O)c1ccc(F)c(F)c1F.Cl
InChIInChI=1S/C12H15F3N2O2S.ClH/c1-7-6-16-5-4-9(7)17-20(18,19)10-3-2-8(13)11(14)12(10)15;/h2-3,7,9,16-17H,4-6H2,1H3;1H
InChIKeyGZYPCWPPHYXTBM-UHFFFAOYSA-N
XLogP1.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725186
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068837
2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722734
4-bromo-2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725020
4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 124516981
methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 120724853
5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725193
2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725133
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725276
N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 124516977
5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride
CID 120724757
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (CID 120725034) is 2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is CC1CNCCC1NS(=O)(=O)c1ccc(F)c(F)c1F.Cl.
What is the InChIKey of 2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is GZYPCWPPHYXTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S.ClH/c1-7-6-16-5-4-9(7)17-20(18,19)10-3-2-8(13)11(14)12(10)15;/h2-3,7,9,16-17H,4-6H2,1H3;1H.
What are the key properties of 2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 344.79 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120725034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).