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

C20H25N3O3S — CID 119388218

IUPAC4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)NC3CCNCC3)cc2)c1C
InChIInChI=1S/C20H25N3O3S/c1-14-4-3-5-19(15(14)2)23-27(25,26)18-8-6-16(7-9-18)20(24)22-17-10-12-21-13-11-17/h3-9,17,21,23H,10-13H2,1-2H3,(H,22,24)
InChIKeyJESBPYNPDGFRSM-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.59
Rot. Bonds5

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

4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide (PubChem CID 119388218) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide
PubChem CID119388218
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)NC3CCNCC3)cc2)c1C
InChIInChI=1S/C20H25N3O3S/c1-14-4-3-5-19(15(14)2)23-27(25,26)18-8-6-16(7-9-18)20(24)22-17-10-12-21-13-11-17/h3-9,17,21,23H,10-13H2,1-2H3,(H,22,24)
InChIKeyJESBPYNPDGFRSM-UHFFFAOYSA-N
XLogP2.59
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426827
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
CID 9264696
4-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058337
N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide
CID 109058325
N-(azepan-4-yl)-4-methylsulfonylbenzamide
CID 105059657
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119458614
4-[(4-fluorophenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387628
N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 9414249
N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide
CID 41246759
N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109060082
4-[(2-bromophenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058368
4-[(2-fluorophenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119428717

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide (CID 119388218) is 4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide is Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NC3CCNCC3)cc2)c1C.
What is the InChIKey of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide?
The InChIKey is JESBPYNPDGFRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14-4-3-5-19(15(14)2)23-27(25,26)18-8-6-16(7-9-18)20(24)22-17-10-12-21-13-11-17/h3-9,17,21,23H,10-13H2,1-2H3,(H,22,24).
What are the key properties of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide?
4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide has a molecular weight of 387.51 g/mol, XLogP of 2.59, 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-4-ylbenzamide is sourced from PubChem (CID 119388218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).