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

C18H22N2O2S — CID 120724798

IUPACN-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
SMILESCC1CNCCC1NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2S/c1-14-13-19-12-11-18(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
InChIKeyAJOSFERPJHQWFM-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.63
Rot. Bonds4

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

N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide (PubChem CID 120724798) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
PubChem CID120724798
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
SMILESCC1CNCCC1NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2S/c1-14-13-19-12-11-18(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
InChIKeyAJOSFERPJHQWFM-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride
CID 120722805
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725276
4-(2-methyl-1,3-oxazol-4-yl)-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724946
3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725299
N-[(3R,4S)-3-methylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 124516960
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724850
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724849
N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64923273
N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 124516977
4-bromo-3-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724741
4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725010
4-fluoro-N-[4-[(3-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide
CID 120724923

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide (CID 120724798) is N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide is CC1CNCCC1NS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide?
The InChIKey is AJOSFERPJHQWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14-13-19-12-11-18(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.
What are the key properties of N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide?
N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 120724798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).