1-(2,5-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide

C18H22Cl2N4O3S — CID 6491886

IUPAC1-(2,5-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C18H22Cl2N4O3S/c19-15-2-3-16(20)17(12-15)28(26,27)24-9-4-14(5-10-24)18(25)22-6-1-8-23-11-7-21-13-23/h2-3,7,11-14H,1,4-6,8-10H2,(H,22,25)
InChIKeyKBXGXUSPBIZUFL-UHFFFAOYSA-N
MW445.37 g/mol
LogP2.80
Rot. Bonds7

About 1-(2,5-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide

1-(2,5-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 6491886) has the molecular formula C18H22Cl2N4O3S and a molecular weight of 445.37 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide
PubChem CID6491886
Molecular FormulaC18H22Cl2N4O3S
Molecular Weight445.37 g/mol
Exact Mass444.08
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C18H22Cl2N4O3S/c19-15-2-3-16(20)17(12-15)28(26,27)24-9-4-14(5-10-24)18(25)22-6-1-8-23-11-7-21-13-23/h2-3,7,11-14H,1,4-6,8-10H2,(H,22,25)
InChIKeyKBXGXUSPBIZUFL-UHFFFAOYSA-N
XLogP2.80
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-3,5-dichloro-N-[4-(2-cyanoimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 58509026
4-amino-3,5-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 58509147
N-[3-(1H-imidazol-1-yl)propyl]-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
CID 6463123
1-(4-Fluoro-benzenesulfonyl)-piperidine-3-carboxylic acid (3-imidazol-1-yl-propyl)-amide
CID 6463928
1-(2,5-Dichloro-benzenesulfonyl)-piperidine-3-carboxylic acid (3-imidazol-1-yl-propyl)-amide
CID 6491897
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide
CID 4877445
N-[(4-Chlorophenyl)methyl]-1-[(1-methyl-1H-imidazol-4-YL)sulfonyl]piperidine-4-carboxamide
CID 16027951
1-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide
CID 6463963
N-[3-(1H-imidazol-1-yl)propyl]-1-{[4-(methylsulfanyl)phenyl]sulfonyl}piperidine-4-carboxamide
CID 16477036
N-[(4-Chlorophenyl)methyl]-1-{[1-(propan-2-YL)-1H-imidazol-4-YL]sulfonyl}piperidine-4-carboxamide
CID 53085542
N-[(2-Chlorophenyl)methyl]-1-[(1-methyl-1H-imidazol-4-YL)sulfonyl]piperidine-4-carboxamide
CID 16027933
4-amino-3,5-dichloro-N-[4-imidazol-1-yl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 134145398

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide (CID 6491886) is 1-(2,5-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide is O=C(NCCCn1ccnc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is KBXGXUSPBIZUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O3S/c19-15-2-3-16(20)17(12-15)28(26,27)24-9-4-14(5-10-24)18(25)22-6-1-8-23-11-7-21-13-23/h2-3,7,11-14H,1,4-6,8-10H2,(H,22,25).
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide?
1-(2,5-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 445.37 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 6491886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).