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

C19H23N3O3S — CID 119427455

IUPAC3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCCNC3)c2)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-7-9-16(10-8-14)22-26(24,25)18-6-2-4-15(12-18)19(23)21-17-5-3-11-20-13-17/h2,4,6-10,12,17,20,22H,3,5,11,13H2,1H3,(H,21,23)
InChIKeyFOYQTEXHPDRIJI-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.28
Rot. Bonds5

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

3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide (PubChem CID 119427455) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
PubChem CID119427455
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCCNC3)c2)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-7-9-16(10-8-14)22-26(24,25)18-6-2-4-15(12-18)19(23)21-17-5-3-11-20-13-17/h2,4,6-10,12,17,20,22H,3,5,11,13H2,1H3,(H,21,23)
InChIKeyFOYQTEXHPDRIJI-UHFFFAOYSA-N
XLogP2.28
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424807
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119424382
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342
3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide
CID 119428239
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427476
N-cyclohexyl-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27670788
N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119424241
N-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164433
N-[(1R,2S)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164435
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452000
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide?
The IUPAC name of 3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide (CID 119427455) is 3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCCNC3)c2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide?
The InChIKey is FOYQTEXHPDRIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-7-9-16(10-8-14)22-26(24,25)18-6-2-4-15(12-18)19(23)21-17-5-3-11-20-13-17/h2,4,6-10,12,17,20,22H,3,5,11,13H2,1H3,(H,21,23).
What are the key properties of 3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide?
3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide has a molecular weight of 373.48 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 119427455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).