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

C19H24ClN3O3S — CID 119424807

IUPAC3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)NC3CCCNC3)c2)c1.Cl
InChIInChI=1S/C19H23N3O3S.ClH/c1-14-5-2-7-16(11-14)22-26(24,25)18-9-3-6-15(12-18)19(23)21-17-8-4-10-20-13-17;/h2-3,5-7,9,11-12,17,20,22H,4,8,10,13H2,1H3,(H,21,23);1H
InChIKeyMJBBVIXGRIFVNJ-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.70
Rot. Bonds5

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

3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride (PubChem CID 119424807) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is 3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride
PubChem CID119424807
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC Name3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)NC3CCCNC3)c2)c1.Cl
InChIInChI=1S/C19H23N3O3S.ClH/c1-14-5-2-7-16(11-14)22-26(24,25)18-9-3-6-15(12-18)19(23)21-17-8-4-10-20-13-17;/h2-3,5-7,9,11-12,17,20,22H,4,8,10,13H2,1H3,(H,21,23);1H
InChIKeyMJBBVIXGRIFVNJ-UHFFFAOYSA-N
XLogP2.70
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119427455
3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide
CID 119428239
3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427476
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119474946
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342
N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 119474947
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452000
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119424382
N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119424241
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174
N-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119470409

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride (CID 119424807) is 3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride is Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NC3CCCNC3)c2)c1.Cl.
What is the InChIKey of 3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride?
The InChIKey is MJBBVIXGRIFVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S.ClH/c1-14-5-2-7-16(11-14)22-26(24,25)18-9-3-6-15(12-18)19(23)21-17-8-4-10-20-13-17;/h2-3,5-7,9,11-12,17,20,22H,4,8,10,13H2,1H3,(H,21,23);1H.
What are the key properties of 3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride?
3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride has a molecular weight of 409.94 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119424807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).