[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone

C20H22N4O3S — CID 38208820

IUPAC[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4cn[nH]c34)CC2)cc1C
InChIInChI=1S/C20H22N4O3S/c1-14-6-7-17(12-15(14)2)28(26,27)24-10-8-23(9-11-24)20(25)18-5-3-4-16-13-21-22-19(16)18/h3-7,12-13H,8-11H2,1-2H3,(H,21,22)
InChIKeySYVIMPJTWSDCBL-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.33
Rot. Bonds3

About [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone

[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone (PubChem CID 38208820) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone
PubChem CID38208820
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4cn[nH]c34)CC2)cc1C
InChIInChI=1S/C20H22N4O3S/c1-14-6-7-17(12-15(14)2)28(26,27)24-10-8-23(9-11-24)20(25)18-5-3-4-16-13-21-22-19(16)18/h3-7,12-13H,8-11H2,1-2H3,(H,21,22)
InChIKeySYVIMPJTWSDCBL-UHFFFAOYSA-N
XLogP2.33
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78847170
(2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27562835
(3-aminophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119678940
(1-chloroisoquinolin-3-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55666498
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110646062
(5-bromo-2-fluorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26872183
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 17481606
5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42908208
(2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 7535266
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 17485339
(2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 1075998
(Z)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-phenylbut-2-en-1-one
CID 60529173

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone?
The IUPAC name of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone (CID 38208820) is [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone.
What is the SMILES notation for [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone?
The canonical SMILES for [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4cn[nH]c34)CC2)cc1C.
What is the InChIKey of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone?
The InChIKey is SYVIMPJTWSDCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14-6-7-17(12-15(14)2)28(26,27)24-10-8-23(9-11-24)20(25)18-5-3-4-16-13-21-22-19(16)18/h3-7,12-13H,8-11H2,1-2H3,(H,21,22).
What are the key properties of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone?
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone has a molecular weight of 398.49 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone is sourced from PubChem (CID 38208820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).