N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride

C18H23ClN2O2S — CID 120722805

IUPACN-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride
SMILESCC1CCNCC1NS(=O)(=O)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O2S.ClH/c1-14-11-12-19-13-18(14)20-23(21,22)17-9-7-16(8-10-17)15-5-3-2-4-6-15;/h2-10,14,18-20H,11-13H2,1H3;1H
InChIKeyOSWPKTGWFBESOL-UHFFFAOYSA-N
MW366.91 g/mol
LogP3.05
Rot. Bonds4

About N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride

N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride (PubChem CID 120722805) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride
PubChem CID120722805
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC NameN-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride
SMILESCC1CCNCC1NS(=O)(=O)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O2S.ClH/c1-14-11-12-19-13-18(14)20-23(21,22)17-9-7-16(8-10-17)15-5-3-2-4-6-15;/h2-10,14,18-20H,11-13H2,1H3;1H
InChIKeyOSWPKTGWFBESOL-UHFFFAOYSA-N
XLogP3.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 120724798
methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 120723104
3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722663
3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722990
3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 55202262
2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722734
3-fluoro-N-(4-methylpiperidin-3-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722763
N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120722916
3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722944
N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 120723237
1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-sulfonamide;hydrochloride
CID 120722687
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725276

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride (CID 120722805) is N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride is CC1CCNCC1NS(=O)(=O)c1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride?
The InChIKey is OSWPKTGWFBESOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S.ClH/c1-14-11-12-19-13-18(14)20-23(21,22)17-9-7-16(8-10-17)15-5-3-2-4-6-15;/h2-10,14,18-20H,11-13H2,1H3;1H.
What are the key properties of N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride?
N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride has a molecular weight of 366.91 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120722805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).