1-[2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]-N-cyclopropylpiperidine-4-carboxamide

C24H28ClN3O4S — CID 55954056

IUPAC1-[2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]-N-cyclopropylpiperidine-4-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC(C(=O)NC4CC4)CC3)c2)cc1C
InChIInChI=1S/C24H28ClN3O4S/c1-15-3-4-19(13-16(15)2)27-33(31,32)20-7-8-22(25)21(14-20)24(30)28-11-9-17(10-12-28)23(29)26-18-5-6-18/h3-4,7-8,13-14,17-18,27H,5-6,9-12H2,1-2H3,(H,26,29)
InChIKeyITUDGHSXHIKZCP-UHFFFAOYSA-N
MW490.03 g/mol
LogP3.89
Rot. Bonds6

About 1-[2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]-N-cyclopropylpiperidine-4-carboxamide

1-[2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 55954056) has the molecular formula C24H28ClN3O4S and a molecular weight of 490.03 g/mol. Its IUPAC name is 1-[2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]-N-cyclopropylpiperidine-4-carboxamide
PubChem CID55954056
Molecular FormulaC24H28ClN3O4S
Molecular Weight490.03 g/mol
Exact Mass489.15
IUPAC Name1-[2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]-N-cyclopropylpiperidine-4-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC(C(=O)NC4CC4)CC3)c2)cc1C
InChIInChI=1S/C24H28ClN3O4S/c1-15-3-4-19(13-16(15)2)27-33(31,32)20-7-8-22(25)21(14-20)24(30)28-11-9-17(10-12-28)23(29)26-18-5-6-18/h3-4,7-8,13-14,17-18,27H,5-6,9-12H2,1-2H3,(H,26,29)
InChIKeyITUDGHSXHIKZCP-UHFFFAOYSA-N
XLogP3.89
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.03
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 55954695
4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 27258307
N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20974007
N-cyclopropyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide
CID 20973102
1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide
CID 99952888
3-(azepane-1-carbonyl)-4-chloro-N-(4-fluorophenyl)benzenesulfonamide
CID 31619015
1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide
CID 20974013
N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 30398633
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 55723665
(2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92730158
N-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide
CID 46678397
3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 43009938

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]-N-cyclopropylpiperidine-4-carboxamide (CID 55954056) is 1-[2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]-N-cyclopropylpiperidine-4-carboxamide is Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC(C(=O)NC4CC4)CC3)c2)cc1C.
What is the InChIKey of 1-[2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is ITUDGHSXHIKZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4S/c1-15-3-4-19(13-16(15)2)27-33(31,32)20-7-8-22(25)21(14-20)24(30)28-11-9-17(10-12-28)23(29)26-18-5-6-18/h3-4,7-8,13-14,17-18,27H,5-6,9-12H2,1-2H3,(H,26,29).
What are the key properties of 1-[2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]-N-cyclopropylpiperidine-4-carboxamide?
1-[2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 490.03 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 55954056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).