1-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide

C21H24ClN3O4S — CID 5236440

IUPAC1-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2Cl)c(C)c1
InChIInChI=1S/C21H24ClN3O4S/c1-13-3-6-18(14(2)11-13)24-30(28,29)19-12-16(4-5-17(19)22)21(27)25-9-7-15(8-10-25)20(23)26/h3-6,11-12,15,24H,7-10H2,1-2H3,(H2,23,26)
InChIKeyMCYSIZLJSCGNJQ-UHFFFAOYSA-N
MW449.96 g/mol
LogP3.10
Rot. Bonds5

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

1-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide (PubChem CID 5236440) has the molecular formula C21H24ClN3O4S and a molecular weight of 449.96 g/mol. Its IUPAC name is 1-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide
PubChem CID5236440
Molecular FormulaC21H24ClN3O4S
Molecular Weight449.96 g/mol
Exact Mass449.12
IUPAC Name1-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2Cl)c(C)c1
InChIInChI=1S/C21H24ClN3O4S/c1-13-3-6-18(14(2)11-13)24-30(28,29)19-12-16(4-5-17(19)22)21(27)25-9-7-15(8-10-25)20(23)26/h3-6,11-12,15,24H,7-10H2,1-2H3,(H2,23,26)
InChIKeyMCYSIZLJSCGNJQ-UHFFFAOYSA-N
XLogP3.10
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide
CID 31307506
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 3680171
5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 1266192
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
2-chloro-N-(2-methylphenyl)-5-[(3R)-3-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 41368476
methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
CID 55350196
N-(2,5-dimethylphenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4530287
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 6360251
3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid
CID 78843133
2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 1289241
2-chloro-N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 2986770
N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3355768

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide (CID 5236440) is 1-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2Cl)c(C)c1.
What is the InChIKey of 1-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide?
The InChIKey is MCYSIZLJSCGNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4S/c1-13-3-6-18(14(2)11-13)24-30(28,29)19-12-16(4-5-17(19)22)21(27)25-9-7-15(8-10-25)20(23)26/h3-6,11-12,15,24H,7-10H2,1-2H3,(H2,23,26).
What are the key properties of 1-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide?
1-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide has a molecular weight of 449.96 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 5236440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).