1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide

C22H26ClN3O4S — CID 17119366

IUPAC1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H26ClN3O4S/c1-2-13-24-31(29,30)20-9-7-19(8-10-20)25-21(27)16-11-14-26(15-12-16)22(28)17-3-5-18(23)6-4-17/h3-10,16,24H,2,11-15H2,1H3,(H,25,27)
InChIKeyZGLJYODPJZWCAS-UHFFFAOYSA-N
MW463.99 g/mol
LogP3.52
Rot. Bonds7

About 1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 17119366) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide
PubChem CID17119366
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC Name1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H26ClN3O4S/c1-2-13-24-31(29,30)20-9-7-19(8-10-20)25-21(27)16-11-14-26(15-12-16)22(28)17-3-5-18(23)6-4-17/h3-10,16,24H,2,11-15H2,1H3,(H,25,27)
InChIKeyZGLJYODPJZWCAS-UHFFFAOYSA-N
XLogP3.52
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17119336
N-[4-(ethylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17224011
1-(4-fluorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17224019
N-[4-(propylsulfamoyl)phenyl]oxane-4-carboxamide
CID 134062227
1-(4-fluorobenzoyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 26425670
N-[4-(butan-2-ylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223986
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
N-[4-(butylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17081720
N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563915
1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223515
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 26878669

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide (CID 17119366) is 1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide is CCCNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is ZGLJYODPJZWCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c1-2-13-24-31(29,30)20-9-7-19(8-10-20)25-21(27)16-11-14-26(15-12-16)22(28)17-3-5-18(23)6-4-17/h3-10,16,24H,2,11-15H2,1H3,(H,25,27).
What are the key properties of 1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 463.99 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 17119366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).