3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-indazole

C21H20N4O2S — CID 10430623

IUPAC3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-indazole
SMILESO=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(N3CCNCC3)cc12
InChIInChI=1S/C21H20N4O2S/c26-28(27,20-7-3-5-15-4-1-2-6-17(15)20)21-18-14-16(8-9-19(18)23-24-21)25-12-10-22-11-13-25/h1-9,14,22H,10-13H2,(H,23,24)
InChIKeyFYOVZCDHYOEKDE-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.96
Rot. Bonds3

About 3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-indazole

3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-indazole (PubChem CID 10430623) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-indazole.

Molecular Properties

Compound Name3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-indazole
PubChem CID10430623
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-indazole
SMILESO=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(N3CCNCC3)cc12
InChIInChI=1S/C21H20N4O2S/c26-28(27,20-7-3-5-15-4-1-2-6-17(15)20)21-18-14-16(8-9-19(18)23-24-21)25-12-10-22-11-13-25/h1-9,14,22H,10-13H2,(H,23,24)
InChIKeyFYOVZCDHYOEKDE-UHFFFAOYSA-N
XLogP2.96
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-indazole?
The IUPAC name of 3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-indazole (CID 10430623) is 3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-indazole.
What is the SMILES notation for 3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-indazole?
The canonical SMILES for 3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-indazole is O=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(N3CCNCC3)cc12.
What is the InChIKey of 3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-indazole?
The InChIKey is FYOVZCDHYOEKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c26-28(27,20-7-3-5-15-4-1-2-6-17(15)20)21-18-14-16(8-9-19(18)23-24-21)25-12-10-22-11-13-25/h1-9,14,22H,10-13H2,(H,23,24).
What are the key properties of 3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-indazole?
3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-indazole has a molecular weight of 392.48 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-indazole is sourced from PubChem (CID 10430623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).