1-(4-chlorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine

C14H17ClN4O2S — CID 20958586

IUPAC1-(4-chlorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
SMILESCn1cnc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C14H17ClN4O2S/c1-17-10-14(16-11-17)22(20,21)19-8-6-18(7-9-19)13-4-2-12(15)3-5-13/h2-5,10-11H,6-9H2,1H3
InChIKeyZUYSUOCVOYSOGQ-UHFFFAOYSA-N
MW340.84 g/mol
LogP1.58
Rot. Bonds3

About 1-(4-chlorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine

1-(4-chlorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine (PubChem CID 20958586) has the molecular formula C14H17ClN4O2S and a molecular weight of 340.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
PubChem CID20958586
Molecular FormulaC14H17ClN4O2S
Molecular Weight340.84 g/mol
Exact Mass340.08
IUPAC Name1-(4-chlorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
SMILESCn1cnc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C14H17ClN4O2S/c1-17-10-14(16-11-17)22(20,21)19-8-6-18(7-9-19)13-4-2-12(15)3-5-13/h2-5,10-11H,6-9H2,1H3
InChIKeyZUYSUOCVOYSOGQ-UHFFFAOYSA-N
XLogP1.58
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(2-morpholinophenyl)-1H-imidazole-4-sulfonamide
CID 2813425
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-phenylpiperazine
CID 20958596
1-(5-Chloro-2-methylphenyl)-4-(1H-imidazole-4-sulfonyl)piperazine
CID 5307520
1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine
CID 11957294
1-(4-chlorophenyl)-4-({1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}carbonyl)piperazine
CID 16027953
3,5-dichloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 72547026
1-(4-fluorophenyl)-4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperazine
CID 2812668
1-(4-chlorophenyl)-4-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperazine
CID 16029186
1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulonamide
CID 2814215
1-(4-chlorophenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine
CID 11957182
1-(5-chloro-2-methylphenyl)-4-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperazine
CID 16029205
1-(3-chlorophenyl)-4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperazine
CID 20958599

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine (CID 20958586) is 1-(4-chlorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine is Cn1cnc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
The InChIKey is ZUYSUOCVOYSOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2S/c1-17-10-14(16-11-17)22(20,21)19-8-6-18(7-9-19)13-4-2-12(15)3-5-13/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
1-(4-chlorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine has a molecular weight of 340.84 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 20958586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).