1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide

C27H36ClN3O4S — CID 17223474

IUPAC1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C27H36ClN3O4S/c1-3-5-17-31(18-6-4-2)36(34,35)23-13-11-22(12-14-23)29-26(32)21-15-19-30(20-16-21)27(33)24-9-7-8-10-25(24)28/h7-14,21H,3-6,15-20H2,1-2H3,(H,29,32)
InChIKeyIYYBPEYPXUNZKN-UHFFFAOYSA-N
MW534.12 g/mol
LogP5.42
Rot. Bonds11

About 1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide

1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 17223474) has the molecular formula C27H36ClN3O4S and a molecular weight of 534.12 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide
PubChem CID17223474
Molecular FormulaC27H36ClN3O4S
Molecular Weight534.12 g/mol
Exact Mass533.21
IUPAC Name1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C27H36ClN3O4S/c1-3-5-17-31(18-6-4-2)36(34,35)23-13-11-22(12-14-23)29-26(32)21-15-19-30(20-16-21)27(33)24-9-7-8-10-25(24)28/h7-14,21H,3-6,15-20H2,1-2H3,(H,29,32)
InChIKeyIYYBPEYPXUNZKN-UHFFFAOYSA-N
XLogP5.42
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.12
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorobenzoyl)-N-[4-(dipropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223467
N-[4-(dipropylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17081719
1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223515
N-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223755
N-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 17223318
1-[(2,6-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 38096715
4-N-[4-(diethylsulfamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922315
1-(2-methylbenzoyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 25162504
N-[4-(dipropylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1213799
N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152471
N-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120453
N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46581827

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide (CID 17223474) is 1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide is CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is IYYBPEYPXUNZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36ClN3O4S/c1-3-5-17-31(18-6-4-2)36(34,35)23-13-11-22(12-14-23)29-26(32)21-15-19-30(20-16-21)27(33)24-9-7-8-10-25(24)28/h7-14,21H,3-6,15-20H2,1-2H3,(H,29,32).
What are the key properties of 1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide?
1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 534.12 g/mol, XLogP of 5.42, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 17223474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).