1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride

C13H19Cl2FN2O2S — CID 120876608

IUPAC1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride
SMILESCC1NCCCC1NS(=O)(=O)Cc1ccc(F)c(Cl)c1.Cl
InChIInChI=1S/C13H18ClFN2O2S.ClH/c1-9-13(3-2-6-16-9)17-20(18,19)8-10-4-5-12(15)11(14)7-10;/h4-5,7,9,13,16-17H,2-3,6,8H2,1H3;1H
InChIKeyXVSVCQDMIBWTQT-UHFFFAOYSA-N
MW357.28 g/mol
LogP2.46
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride

1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride (PubChem CID 120876608) has the molecular formula C13H19Cl2FN2O2S and a molecular weight of 357.28 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride
PubChem CID120876608
Molecular FormulaC13H19Cl2FN2O2S
Molecular Weight357.28 g/mol
Exact Mass356.05
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride
SMILESCC1NCCCC1NS(=O)(=O)Cc1ccc(F)c(Cl)c1.Cl
InChIInChI=1S/C13H18ClFN2O2S.ClH/c1-9-13(3-2-6-16-9)17-20(18,19)8-10-4-5-12(15)11(14)7-10;/h4-5,7,9,13,16-17H,2-3,6,8H2,1H3;1H
InChIKeyXVSVCQDMIBWTQT-UHFFFAOYSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide
CID 120876434
N-(2-methylpiperidin-3-yl)-1-(4-nitrophenyl)methanesulfonamide;hydrochloride
CID 120726600
1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide
CID 114695190
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695279
2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 120575501
(3S)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]-3-methylpiperazine;hydrochloride
CID 120875739
2-bromo-6-chloro-4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726722
N-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
CID 120726547
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride
CID 119985751
4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 120726654

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride (CID 120876608) is 1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride is CC1NCCCC1NS(=O)(=O)Cc1ccc(F)c(Cl)c1.Cl.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride?
The InChIKey is XVSVCQDMIBWTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S.ClH/c1-9-13(3-2-6-16-9)17-20(18,19)8-10-4-5-12(15)11(14)7-10;/h4-5,7,9,13,16-17H,2-3,6,8H2,1H3;1H.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride?
1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride has a molecular weight of 357.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 120876608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).