2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride

C13H17Cl2F3N2O2S — CID 120723086

IUPAC2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC1CCNCC1NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F.Cl
InChIInChI=1S/C13H16ClF3N2O2S.ClH/c1-8-5-6-18-7-11(8)19-22(20,21)12-9(13(15,16)17)3-2-4-10(12)14;/h2-4,8,11,18-19H,5-7H2,1H3;1H
InChIKeyWOLFYGSFPUIKNC-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.06
Rot. Bonds3

About 2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride

2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 120723086) has the molecular formula C13H17Cl2F3N2O2S and a molecular weight of 393.26 g/mol. Its IUPAC name is 2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID120723086
Molecular FormulaC13H17Cl2F3N2O2S
Molecular Weight393.26 g/mol
Exact Mass392.03
IUPAC Name2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC1CCNCC1NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F.Cl
InChIInChI=1S/C13H16ClF3N2O2S.ClH/c1-8-5-6-18-7-11(8)19-22(20,21)12-9(13(15,16)17)3-2-4-10(12)14;/h2-4,8,11,18-19H,5-7H2,1H3;1H
InChIKeyWOLFYGSFPUIKNC-UHFFFAOYSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722895
2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120723323
3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722663
N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 124516977
2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722734
2-fluoro-N-(4-methylpiperidin-3-yl)-6-nitrobenzenesulfonamide;hydrochloride
CID 120722936
3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722990
N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120722916
3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 55202262
N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride
CID 120722805
2,6-dichloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960503
3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722944

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 120723086) is 2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride is CC1CCNCC1NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F.Cl.
What is the InChIKey of 2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is WOLFYGSFPUIKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O2S.ClH/c1-8-5-6-18-7-11(8)19-22(20,21)12-9(13(15,16)17)3-2-4-10(12)14;/h2-4,8,11,18-19H,5-7H2,1H3;1H.
What are the key properties of 2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride?
2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 393.26 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120723086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).