3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole

C18H20N4O2S — CID 10383646

IUPAC3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole
SMILESCN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4ccccc4)c3c2)CC1
InChIInChI=1S/C18H20N4O2S/c1-21-9-11-22(12-10-21)14-7-8-17-16(13-14)18(20-19-17)25(23,24)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,19,20)
InChIKeySVLOBFJUUCMSOY-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.15
Rot. Bonds3

About 3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole

3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole (PubChem CID 10383646) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole
PubChem CID10383646
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole
SMILESCN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4ccccc4)c3c2)CC1
InChIInChI=1S/C18H20N4O2S/c1-21-9-11-22(12-10-21)14-7-8-17-16(13-14)18(20-19-17)25(23,24)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,19,20)
InChIKeySVLOBFJUUCMSOY-UHFFFAOYSA-N
XLogP2.15
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole?
The IUPAC name of 3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole (CID 10383646) is 3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole.
What is the SMILES notation for 3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole?
The canonical SMILES for 3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole is CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4ccccc4)c3c2)CC1.
What is the InChIKey of 3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole?
The InChIKey is SVLOBFJUUCMSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-21-9-11-22(12-10-21)14-7-8-17-16(13-14)18(20-19-17)25(23,24)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,19,20).
What are the key properties of 3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole?
3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole has a molecular weight of 356.45 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole is sourced from PubChem (CID 10383646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).