[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-imidazol-1-ylmethanone

C14H15ClN4O3S — CID 4784722

IUPAC[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-imidazol-1-ylmethanone
SMILESO=C(N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)n1ccnc1
InChIInChI=1S/C14H15ClN4O3S/c15-12-1-3-13(4-2-12)23(21,22)19-9-7-17(8-10-19)14(20)18-6-5-16-11-18/h1-6,11H,7-10H2
InChIKeyYKLXFGRKCPJSGZ-UHFFFAOYSA-N
MW354.82 g/mol
LogP1.51
Rot. Bonds2

About [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-imidazol-1-ylmethanone

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-imidazol-1-ylmethanone (PubChem CID 4784722) has the molecular formula C14H15ClN4O3S and a molecular weight of 354.82 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-imidazol-1-ylmethanone
PubChem CID4784722
Molecular FormulaC14H15ClN4O3S
Molecular Weight354.82 g/mol
Exact Mass354.06
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-imidazol-1-ylmethanone
SMILESO=C(N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)n1ccnc1
InChIInChI=1S/C14H15ClN4O3S/c15-12-1-3-13(4-2-12)23(21,22)19-9-7-17(8-10-19)14(20)18-6-5-16-11-18/h1-6,11H,7-10H2
InChIKeyYKLXFGRKCPJSGZ-UHFFFAOYSA-N
XLogP1.51
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-imidazole-1-carbonyl)-4-(4-methylbenzenesulfonyl)piperazine
CID 4784720
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide
CID 4877445
1-(2,4-Dichlorophenyl)sulfonylimidazole
CID 4914608
1-(4-Chlorophenyl)sulfonyl-2-methylimidazole
CID 402990
Benzenesulfonamide, 4-chloro-N-(1-cyclohexyl-1H-imidazol-2-yl)-
CID 3054828
N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-1-methylimidazole-4-sulfonamide
CID 2821598
1-(4-Chlorophenyl)sulfonyl-4-(3-imidazol-1-ylpropyl)piperazine
CID 14278723
1-(2-(1H-imidazol-1-yl)ethyl)-4-(phenylsulfonyl)piperazine
CID 71788608
1-(2,4-Dichlorobenzenesulfonyl)-2-methyl-1H-imidazole
CID 610596
1-[(4-Chlorophenyl)sulfonyl]-2-ethyl-1h-imidazole
CID 403075
2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]pyrazine
CID 3870004
N-[2-(1H-imidazol-1-yl)ethyl]-4-(phenylsulfonyl)piperazine-1-carboxamide
CID 119070454

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-imidazol-1-ylmethanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-imidazol-1-ylmethanone (CID 4784722) is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-imidazol-1-ylmethanone is O=C(N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)n1ccnc1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-imidazol-1-ylmethanone?
The InChIKey is YKLXFGRKCPJSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3S/c15-12-1-3-13(4-2-12)23(21,22)19-9-7-17(8-10-19)14(20)18-6-5-16-11-18/h1-6,11H,7-10H2.
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-imidazol-1-ylmethanone?
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-imidazol-1-ylmethanone has a molecular weight of 354.82 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 4784722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).