1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide

C20H23N3O4S — CID 18159138

IUPAC1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C20H23N3O4S/c1-14-5-2-3-7-18(14)22-28(26,27)17-10-8-15(9-11-17)20(25)23-12-4-6-16(13-23)19(21)24/h2-3,5,7-11,16,22H,4,6,12-13H2,1H3,(H2,21,24)
InChIKeyFCKUHNONAXJPJA-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.13
Rot. Bonds5

About 1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide

1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide (PubChem CID 18159138) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide
PubChem CID18159138
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C20H23N3O4S/c1-14-5-2-3-7-18(14)22-28(26,27)17-10-8-15(9-11-17)20(25)23-12-4-6-16(13-23)19(21)24/h2-3,5,7-11,16,22H,4,6,12-13H2,1H3,(H2,21,24)
InChIKeyFCKUHNONAXJPJA-UHFFFAOYSA-N
XLogP2.13
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-4-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41283130
4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
CID 119376026
4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-N-(2-methylphenyl)benzenesulfonamide
CID 9164303
1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide
CID 18159134
ethyl 1-[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-3-carboxylate
CID 25162125
4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide
CID 119378363
N-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108586
(3S)-1-[(2-methylphenyl)carbamothioyl]piperidine-3-carboxamide
CID 8628888
N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide
CID 41246759
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061527
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24816556
4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride
CID 119381064

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide (CID 18159138) is 1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCCC(C(N)=O)C2)cc1.
What is the InChIKey of 1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide?
The InChIKey is FCKUHNONAXJPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-14-5-2-3-7-18(14)22-28(26,27)17-10-8-15(9-11-17)20(25)23-12-4-6-16(13-23)19(21)24/h2-3,5,7-11,16,22H,4,6,12-13H2,1H3,(H2,21,24).
What are the key properties of 1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide?
1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 18159138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).