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

C17H24N4O2S — CID 6469213

IUPAC1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cn(C)nc3C)CC2)c1C
InChIInChI=1S/C17H24N4O2S/c1-13-6-5-7-16(14(13)2)20-8-10-21(11-9-20)24(22,23)17-12-19(4)18-15(17)3/h5-7,12H,8-11H2,1-4H3
InChIKeyHIAHNHDVYBTEEE-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.86
Rot. Bonds3

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

1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 6469213) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
PubChem CID6469213
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cn(C)nc3C)CC2)c1C
InChIInChI=1S/C17H24N4O2S/c1-13-6-5-7-16(14(13)2)20-8-10-21(11-9-20)24(22,23)17-12-19(4)18-15(17)3/h5-7,12H,8-11H2,1-4H3
InChIKeyHIAHNHDVYBTEEE-UHFFFAOYSA-N
XLogP1.86
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethylphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20958601
1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2114453
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 3459018
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 2196606
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17371555
1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 3520156
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 694818
1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 1344730
1-(2,3-dimethylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
CID 3590123
1-(4-tert-butylphenyl)sulfonyl-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 17380671
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one
CID 110865706
1-(2,3-dimethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 1260959

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine (CID 6469213) is 1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine is Cc1cccc(N2CCN(S(=O)(=O)c3cn(C)nc3C)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is HIAHNHDVYBTEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-13-6-5-7-16(14(13)2)20-8-10-21(11-9-20)24(22,23)17-12-19(4)18-15(17)3/h5-7,12H,8-11H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine?
1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 348.47 g/mol, XLogP of 1.86, 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-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 6469213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).