1-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide

C22H23ClN4O3S — CID 30395373

IUPAC1-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H23ClN4O3S/c23-19-3-7-21(8-4-19)31(29,30)27-12-9-18(10-13-27)22(28)25-15-17-1-5-20(6-2-17)26-14-11-24-16-26/h1-8,11,14,16,18H,9-10,12-13,15H2,(H,25,28)
InChIKeyCQCYNNJSIHQKPM-UHFFFAOYSA-N
MW458.97 g/mol
LogP3.24
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 30395373) has the molecular formula C22H23ClN4O3S and a molecular weight of 458.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID30395373
Molecular FormulaC22H23ClN4O3S
Molecular Weight458.97 g/mol
Exact Mass458.12
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H23ClN4O3S/c23-19-3-7-21(8-4-19)31(29,30)27-12-9-18(10-13-27)22(28)25-15-17-1-5-20(6-2-17)26-14-11-24-16-26/h1-8,11,14,16,18H,9-10,12-13,15H2,(H,25,28)
InChIKeyCQCYNNJSIHQKPM-UHFFFAOYSA-N
XLogP3.24
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 100645070
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514
1-(4-chlorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25402530
N-[(4-chlorophenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285506
4-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 43886853
1-(4-ethylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 113004556
N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 56764930
1-(4-chlorophenyl)sulfonyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 100659038
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1077664
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 35617033
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
1-(2,6-dichlorophenyl)sulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 55711297

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide (CID 30395373) is 1-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccc(-n2ccnc2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is CQCYNNJSIHQKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S/c23-19-3-7-21(8-4-19)31(29,30)27-12-9-18(10-13-27)22(28)25-15-17-1-5-20(6-2-17)26-14-11-24-16-26/h1-8,11,14,16,18H,9-10,12-13,15H2,(H,25,28).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 458.97 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 30395373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).