3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride

C20H26ClN3O3S — CID 119385924

IUPAC3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCNCC3)c2)cc1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-15-6-8-18(9-7-15)23(2)27(25,26)19-5-3-4-16(14-19)20(24)22-17-10-12-21-13-11-17;/h3-9,14,17,21H,10-13H2,1-2H3,(H,22,24);1H
InChIKeyRXMXIJDFAFLIKP-UHFFFAOYSA-N
MW423.97 g/mol
LogP2.72
Rot. Bonds5

About 3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride

3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119385924) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is 3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119385924
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC Name3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCNCC3)c2)cc1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-15-6-8-18(9-7-15)23(2)27(25,26)19-5-3-4-16(14-19)20(24)22-17-10-12-21-13-11-17;/h3-9,14,17,21H,10-13H2,1-2H3,(H,22,24);1H
InChIKeyRXMXIJDFAFLIKP-UHFFFAOYSA-N
XLogP2.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119424382
3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide
CID 119388175
N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2598297
N-tert-butyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2670988
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46680640
N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 119521508
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide
CID 8531259
methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 9273487
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide
CID 9204956
N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2677261
3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119427455
N-[2-(dimethylamino)-2-oxoethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 9480630

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride (CID 119385924) is 3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride is Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCNCC3)c2)cc1.Cl.
What is the InChIKey of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is RXMXIJDFAFLIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c1-15-6-8-18(9-7-15)23(2)27(25,26)19-5-3-4-16(14-19)20(24)22-17-10-12-21-13-11-17;/h3-9,14,17,21H,10-13H2,1-2H3,(H,22,24);1H.
What are the key properties of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride?
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119385924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).