4-(4-chlorophenyl)-2,2-dimethyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine

C18H25ClN4O2S — CID 139009470

IUPAC4-(4-chlorophenyl)-2,2-dimethyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine
SMILESCC(C)n1cnc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)c1
InChIInChI=1S/C18H25ClN4O2S/c1-14(2)22-11-17(20-13-22)26(24,25)23-10-9-21(12-18(23,3)4)16-7-5-15(19)6-8-16/h5-8,11,13-14H,9-10,12H2,1-4H3
InChIKeyWALBYDXLYMTCCG-UHFFFAOYSA-N
MW396.94 g/mol
LogP3.41
Rot. Bonds4

About 4-(4-chlorophenyl)-2,2-dimethyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine

4-(4-chlorophenyl)-2,2-dimethyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine (PubChem CID 139009470) has the molecular formula C18H25ClN4O2S and a molecular weight of 396.94 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2,2-dimethyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2,2-dimethyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine
PubChem CID139009470
Molecular FormulaC18H25ClN4O2S
Molecular Weight396.94 g/mol
Exact Mass396.14
IUPAC Name4-(4-chlorophenyl)-2,2-dimethyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine
SMILESCC(C)n1cnc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)c1
InChIInChI=1S/C18H25ClN4O2S/c1-14(2)22-11-17(20-13-22)26(24,25)23-10-9-21(12-18(23,3)4)16-7-5-15(19)6-8-16/h5-8,11,13-14H,9-10,12H2,1-4H3
InChIKeyWALBYDXLYMTCCG-UHFFFAOYSA-N
XLogP3.41
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
CID 139009483
1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine
CID 126892901
5-[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]sulfonyl-2-methoxybenzamide
CID 139009484
N-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085542
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone
CID 53085569
1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine
CID 126771185
(7S)-7-(2-chlorophenyl)-4-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,4-thiazepane
CID 99878735
2-methyl-4-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122342554
1-(4-tert-butylphenyl)sulfonyl-2,2-dimethyl-4-(4-nitrophenyl)piperazine
CID 23648666
[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 138997981
2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole
CID 121178903
1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol
CID 109379638

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2,2-dimethyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine?
The IUPAC name of 4-(4-chlorophenyl)-2,2-dimethyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine (CID 139009470) is 4-(4-chlorophenyl)-2,2-dimethyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 4-(4-chlorophenyl)-2,2-dimethyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 4-(4-chlorophenyl)-2,2-dimethyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine is CC(C)n1cnc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)c1.
What is the InChIKey of 4-(4-chlorophenyl)-2,2-dimethyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine?
The InChIKey is WALBYDXLYMTCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2S/c1-14(2)22-11-17(20-13-22)26(24,25)23-10-9-21(12-18(23,3)4)16-7-5-15(19)6-8-16/h5-8,11,13-14H,9-10,12H2,1-4H3.
What are the key properties of 4-(4-chlorophenyl)-2,2-dimethyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine?
4-(4-chlorophenyl)-2,2-dimethyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine has a molecular weight of 396.94 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2,2-dimethyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 139009470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).