1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid

C18H19N3O5S — CID 119349414

IUPAC1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)CC1
InChIInChI=1S/C18H19N3O5S/c22-17(21-11-7-14(8-12-21)18(23)24)13-1-3-16(4-2-13)27(25,26)20-15-5-9-19-10-6-15/h1-6,9-10,14H,7-8,11-12H2,(H,19,20)(H,23,24)
InChIKeyKKDSLTOXGSHQPE-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.82
Rot. Bonds5

About 1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid

1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid (PubChem CID 119349414) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
PubChem CID119349414
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)CC1
InChIInChI=1S/C18H19N3O5S/c22-17(21-11-7-14(8-12-21)18(23)24)13-1-3-16(4-2-13)27(25,26)20-15-5-9-19-10-6-15/h1-6,9-10,14H,7-8,11-12H2,(H,19,20)(H,23,24)
InChIKeyKKDSLTOXGSHQPE-UHFFFAOYSA-N
XLogP1.82
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341309
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N-pyridin-4-ylbenzenesulfonamide;dihydrochloride
CID 119639226
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-pyridin-4-ylbenzenesulfonamide
CID 119542236
N-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 55616731
N-phenyl-4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 24660136
4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 56512192
1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55410159
4-(pyrrolidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 109059218
N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 119055344
N-(4-methyl-2-pyridinyl)-1-[4-(phenylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 55813137
4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656637
4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 78802442

Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid (CID 119349414) is 1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)CC1.
What is the InChIKey of 1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid?
The InChIKey is KKDSLTOXGSHQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c22-17(21-11-7-14(8-12-21)18(23)24)13-1-3-16(4-2-13)27(25,26)20-15-5-9-19-10-6-15/h1-6,9-10,14H,7-8,11-12H2,(H,19,20)(H,23,24).
What are the key properties of 1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid?
1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid has a molecular weight of 389.43 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119349414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).