1-(benzenesulfonyl)-5-piperazin-1-ylindazole;hydrochloride

C17H19ClN4O2S — CID 142708518

IUPAC1-(benzenesulfonyl)-5-piperazin-1-ylindazole;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1)n1ncc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C17H18N4O2S.ClH/c22-24(23,16-4-2-1-3-5-16)21-17-7-6-15(12-14(17)13-19-21)20-10-8-18-9-11-20;/h1-7,12-13,18H,8-11H2;1H
InChIKeyZHTXBFGPVJRMKX-UHFFFAOYSA-N
MW378.88 g/mol
LogP2.10
Rot. Bonds3

About 1-(benzenesulfonyl)-5-piperazin-1-ylindazole;hydrochloride

1-(benzenesulfonyl)-5-piperazin-1-ylindazole;hydrochloride (PubChem CID 142708518) has the molecular formula C17H19ClN4O2S and a molecular weight of 378.88 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-piperazin-1-ylindazole;hydrochloride.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-piperazin-1-ylindazole;hydrochloride
PubChem CID142708518
Molecular FormulaC17H19ClN4O2S
Molecular Weight378.88 g/mol
Exact Mass378.09
IUPAC Name1-(benzenesulfonyl)-5-piperazin-1-ylindazole;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1)n1ncc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C17H18N4O2S.ClH/c22-24(23,16-4-2-1-3-5-16)21-17-7-6-15(12-14(17)13-19-21)20-10-8-18-9-11-20;/h1-7,12-13,18H,8-11H2;1H
InChIKeyZHTXBFGPVJRMKX-UHFFFAOYSA-N
XLogP2.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-piperazin-1-ylindazole;hydrochloride?
The IUPAC name of 1-(benzenesulfonyl)-5-piperazin-1-ylindazole;hydrochloride (CID 142708518) is 1-(benzenesulfonyl)-5-piperazin-1-ylindazole;hydrochloride.
What is the SMILES notation for 1-(benzenesulfonyl)-5-piperazin-1-ylindazole;hydrochloride?
The canonical SMILES for 1-(benzenesulfonyl)-5-piperazin-1-ylindazole;hydrochloride is Cl.O=S(=O)(c1ccccc1)n1ncc2cc(N3CCNCC3)ccc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-piperazin-1-ylindazole;hydrochloride?
The InChIKey is ZHTXBFGPVJRMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S.ClH/c22-24(23,16-4-2-1-3-5-16)21-17-7-6-15(12-14(17)13-19-21)20-10-8-18-9-11-20;/h1-7,12-13,18H,8-11H2;1H.
What are the key properties of 1-(benzenesulfonyl)-5-piperazin-1-ylindazole;hydrochloride?
1-(benzenesulfonyl)-5-piperazin-1-ylindazole;hydrochloride has a molecular weight of 378.88 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-piperazin-1-ylindazole;hydrochloride is sourced from PubChem (CID 142708518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).