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

C19H20ClN3O4S — CID 18159134

IUPAC1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C19H20ClN3O4S/c20-15-5-7-16(8-6-15)22-28(26,27)17-9-3-13(4-10-17)19(25)23-11-1-2-14(12-23)18(21)24/h3-10,14,22H,1-2,11-12H2,(H2,21,24)
InChIKeyRXFRJTGXMKJISL-UHFFFAOYSA-N
MW421.91 g/mol
LogP2.48
Rot. Bonds5

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

1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide (PubChem CID 18159134) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide
PubChem CID18159134
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC Name1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C19H20ClN3O4S/c20-15-5-7-16(8-6-15)22-28(26,27)17-9-3-13(4-10-17)19(25)23-11-1-2-14(12-23)18(21)24/h3-10,14,22H,1-2,11-12H2,(H2,21,24)
InChIKeyRXFRJTGXMKJISL-UHFFFAOYSA-N
XLogP2.48
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide
CID 18159138
1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 25162245
(3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide
CID 92729209
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide;hydrochloride
CID 119631367
4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380159
N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 46384573
(3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729184
4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656637
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 42898298
N-(4-methylphenyl)-4-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41283116
N-(4-chlorophenyl)-4-[(2R)-2-propan-2-ylthiomorpholine-4-carbonyl]benzenesulfonamide
CID 97218375
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide (CID 18159134) is 1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide?
The InChIKey is RXFRJTGXMKJISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c20-15-5-7-16(8-6-15)22-28(26,27)17-9-3-13(4-10-17)19(25)23-11-1-2-14(12-23)18(21)24/h3-10,14,22H,1-2,11-12H2,(H2,21,24).
What are the key properties of 1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide?
1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide has a molecular weight of 421.91 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 18159134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).