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

C18H19FN4O2S — CID 10068007

IUPAC3-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole
SMILESCN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4ccc(F)cc4)c3c2)CC1
InChIInChI=1S/C18H19FN4O2S/c1-22-8-10-23(11-9-22)14-4-7-17-16(12-14)18(21-20-17)26(24,25)15-5-2-13(19)3-6-15/h2-7,12H,8-11H2,1H3,(H,20,21)
InChIKeyFCDJRMZCFMXAPI-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.29
Rot. Bonds3

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

3-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole (PubChem CID 10068007) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole
PubChem CID10068007
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC Name3-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole
SMILESCN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4ccc(F)cc4)c3c2)CC1
InChIInChI=1S/C18H19FN4O2S/c1-22-8-10-23(11-9-22)14-4-7-17-16(12-14)18(21-20-17)26(24,25)15-5-2-13(19)3-6-15/h2-7,12H,8-11H2,1H3,(H,20,21)
InChIKeyFCDJRMZCFMXAPI-UHFFFAOYSA-N
XLogP2.29
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole (CID 10068007) is 3-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole is CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4ccc(F)cc4)c3c2)CC1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole?
The InChIKey is FCDJRMZCFMXAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c1-22-8-10-23(11-9-22)14-4-7-17-16(12-14)18(21-20-17)26(24,25)15-5-2-13(19)3-6-15/h2-7,12H,8-11H2,1H3,(H,20,21).
What are the key properties of 3-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole?
3-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole has a molecular weight of 374.44 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole is sourced from PubChem (CID 10068007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).