1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine

C14H16Cl2N4O2S — CID 35326952

IUPAC1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine
SMILESCn1cnc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c1Cl
InChIInChI=1S/C14H16Cl2N4O2S/c1-18-10-17-14(13(18)16)23(21,22)20-8-6-19(7-9-20)12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3
InChIKeyUWVBGNXNMGEYAP-UHFFFAOYSA-N
MW375.28 g/mol
LogP2.24
Rot. Bonds3

About 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine

1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine (PubChem CID 35326952) has the molecular formula C14H16Cl2N4O2S and a molecular weight of 375.28 g/mol. Its IUPAC name is 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine
PubChem CID35326952
Molecular FormulaC14H16Cl2N4O2S
Molecular Weight375.28 g/mol
Exact Mass374.04
IUPAC Name1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine
SMILESCn1cnc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c1Cl
InChIInChI=1S/C14H16Cl2N4O2S/c1-18-10-17-14(13(18)16)23(21,22)20-8-6-19(7-9-20)12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3
InChIKeyUWVBGNXNMGEYAP-UHFFFAOYSA-N
XLogP2.24
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine
CID 23853829
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 60746134
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(cyclopropylmethyl)piperazine
CID 61046514
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperidine
CID 43415248
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridine
CID 115969898
methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 35298247
1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 51182519
4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylthiomorpholine
CID 115611984
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol
CID 103896804
N-butyl-3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrazole-4-carboxamide
CID 53336456
1-(2-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 60916370
1-(2-chlorophenyl)-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazine
CID 3587621

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine?
The IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine (CID 35326952) is 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine.
What is the SMILES notation for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine?
The canonical SMILES for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine is Cn1cnc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c1Cl.
What is the InChIKey of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine?
The InChIKey is UWVBGNXNMGEYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O2S/c1-18-10-17-14(13(18)16)23(21,22)20-8-6-19(7-9-20)12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine?
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine has a molecular weight of 375.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine is sourced from PubChem (CID 35326952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).