4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride

C20H26ClN3O3S — CID 119426827

IUPAC4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)NC3CCCNC3)cc2)c1C.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-14-5-3-7-19(15(14)2)23-27(25,26)18-10-8-16(9-11-18)20(24)22-17-6-4-12-21-13-17;/h3,5,7-11,17,21,23H,4,6,12-13H2,1-2H3,(H,22,24);1H
InChIKeyUKUBAAFYLZEHIK-UHFFFAOYSA-N
MW423.97 g/mol
LogP3.01
Rot. Bonds5

About 4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride

4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride (PubChem CID 119426827) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is 4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride
PubChem CID119426827
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC Name4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)NC3CCCNC3)cc2)c1C.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-14-5-3-7-19(15(14)2)23-27(25,26)18-10-8-16(9-11-18)20(24)22-17-6-4-12-21-13-17;/h3,5,7-11,17,21,23H,4,6,12-13H2,1-2H3,(H,22,24);1H
InChIKeyUKUBAAFYLZEHIK-UHFFFAOYSA-N
XLogP3.01
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide
CID 119388218
4-[(2-fluorophenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119428717
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
CID 9264696
4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428182
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide;hydrochloride
CID 120657556
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
4-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058337
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985
4-(2-methoxyethylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119426387
N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide
CID 109058325
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119458614
N-(azepan-4-yl)-4-methylsulfonylbenzamide
CID 105059657

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride (CID 119426827) is 4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride is Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NC3CCCNC3)cc2)c1C.Cl.
What is the InChIKey of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride?
The InChIKey is UKUBAAFYLZEHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c1-14-5-3-7-19(15(14)2)23-27(25,26)18-10-8-16(9-11-18)20(24)22-17-6-4-12-21-13-17;/h3,5,7-11,17,21,23H,4,6,12-13H2,1-2H3,(H,22,24);1H.
What are the key properties of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride?
4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119426827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).