2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

C12H17ClF2N2O2S — CID 120725186

IUPAC2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCC1CNCCC1NS(=O)(=O)c1cc(F)ccc1F.Cl
InChIInChI=1S/C12H16F2N2O2S.ClH/c1-8-7-15-5-4-11(8)16-19(17,18)12-6-9(13)2-3-10(12)14;/h2-3,6,8,11,15-16H,4-5,7H2,1H3;1H
InChIKeyDBUALANIWBYIPN-UHFFFAOYSA-N
MW326.80 g/mol
LogP1.66
Rot. Bonds3

About 2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 120725186) has the molecular formula C12H17ClF2N2O2S and a molecular weight of 326.80 g/mol. Its IUPAC name is 2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID120725186
Molecular FormulaC12H17ClF2N2O2S
Molecular Weight326.80 g/mol
Exact Mass326.07
IUPAC Name2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCC1CNCCC1NS(=O)(=O)c1cc(F)ccc1F.Cl
InChIInChI=1S/C12H16F2N2O2S.ClH/c1-8-7-15-5-4-11(8)16-19(17,18)12-6-9(13)2-3-10(12)14;/h2-3,6,8,11,15-16H,4-5,7H2,1H3;1H
InChIKeyDBUALANIWBYIPN-UHFFFAOYSA-N
XLogP1.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 124516981
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725034
4-bromo-2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725020
5-fluoro-2-(2-methoxyethoxy)-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725128
5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725193
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826055
methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 120724853
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939
2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 43597247
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

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (CID 120725186) is 2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is CC1CNCCC1NS(=O)(=O)c1cc(F)ccc1F.Cl.
What is the InChIKey of 2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is DBUALANIWBYIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S.ClH/c1-8-7-15-5-4-11(8)16-19(17,18)12-6-9(13)2-3-10(12)14;/h2-3,6,8,11,15-16H,4-5,7H2,1H3;1H.
What are the key properties of 2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 326.80 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120725186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).