3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride

C13H19ClF2N2O2S — CID 119970228

IUPAC3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
SMILESCC(NS(=O)(=O)c1ccc(F)c(F)c1)C1CCCNC1.Cl
InChIInChI=1S/C13H18F2N2O2S.ClH/c1-9(10-3-2-6-16-8-10)17-20(18,19)11-4-5-12(14)13(15)7-11;/h4-5,7,9-10,16-17H,2-3,6,8H2,1H3;1H
InChIKeyGLFYPBLTTSPFJE-UHFFFAOYSA-N
MW340.82 g/mol
LogP2.05
Rot. Bonds4

About 3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride

3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride (PubChem CID 119970228) has the molecular formula C13H19ClF2N2O2S and a molecular weight of 340.82 g/mol. Its IUPAC name is 3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
PubChem CID119970228
Molecular FormulaC13H19ClF2N2O2S
Molecular Weight340.82 g/mol
Exact Mass340.08
IUPAC Name3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
SMILESCC(NS(=O)(=O)c1ccc(F)c(F)c1)C1CCCNC1.Cl
InChIInChI=1S/C13H18F2N2O2S.ClH/c1-9(10-3-2-6-16-8-10)17-20(18,19)11-4-5-12(14)13(15)7-11;/h4-5,7,9-10,16-17H,2-3,6,8H2,1H3;1H
InChIKeyGLFYPBLTTSPFJE-UHFFFAOYSA-N
XLogP2.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.82
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828938
2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045365
3,5-dichloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970234
5-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 120894013
4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 120708183
3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 119970212
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970327
3,4-difluoro-N-(1-piperidin-2-ylethyl)benzenesulfonamide
CID 43523505
4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045038
2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 115752267
4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide
CID 103697627
4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970282

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride (CID 119970228) is 3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride is CC(NS(=O)(=O)c1ccc(F)c(F)c1)C1CCCNC1.Cl.
What is the InChIKey of 3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is GLFYPBLTTSPFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S.ClH/c1-9(10-3-2-6-16-8-10)17-20(18,19)11-4-5-12(14)13(15)7-11;/h4-5,7,9-10,16-17H,2-3,6,8H2,1H3;1H.
What are the key properties of 3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride?
3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 340.82 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119970228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).