1-(2,3-dimethylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine

C16H22N4O2S — CID 20958601

IUPAC1-(2,3-dimethylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)c1C
InChIInChI=1S/C16H22N4O2S/c1-13-5-4-6-15(14(13)2)19-7-9-20(10-8-19)23(21,22)16-11-18(3)12-17-16/h4-6,11-12H,7-10H2,1-3H3
InChIKeyIGQQRFAYMXUTLU-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.55
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine

1-(2,3-dimethylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine (PubChem CID 20958601) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
PubChem CID20958601
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name1-(2,3-dimethylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)c1C
InChIInChI=1S/C16H22N4O2S/c1-13-5-4-6-15(14(13)2)19-7-9-20(10-8-19)23(21,22)16-11-18(3)12-17-16/h4-6,11-12H,7-10H2,1-3H3
InChIKeyIGQQRFAYMXUTLU-UHFFFAOYSA-N
XLogP1.55
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine (CID 20958601) is 1-(2,3-dimethylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine is Cc1cccc(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
The InChIKey is IGQQRFAYMXUTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-13-5-4-6-15(14(13)2)19-7-9-20(10-8-19)23(21,22)16-11-18(3)12-17-16/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine?
1-(2,3-dimethylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine has a molecular weight of 334.45 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 20958601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).