1H-indazol-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

C22H20N4O3S — CID 2594755

IUPAC1H-indazol-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H20N4O3S/c27-22(21-19-7-3-4-8-20(19)23-24-21)25-11-13-26(14-12-25)30(28,29)18-10-9-16-5-1-2-6-17(16)15-18/h1-10,15H,11-14H2,(H,23,24)
InChIKeyJRLSETHHMIZXCA-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.86
Rot. Bonds3

About 1H-indazol-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

1H-indazol-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 2594755) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 1H-indazol-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID2594755
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name1H-indazol-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H20N4O3S/c27-22(21-19-7-3-4-8-20(19)23-24-21)25-11-13-26(14-12-25)30(28,29)18-10-9-16-5-1-2-6-17(16)15-18/h1-10,15H,11-14H2,(H,23,24)
InChIKeyJRLSETHHMIZXCA-UHFFFAOYSA-N
XLogP2.86
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of 1H-indazol-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (CID 2594755) is 1H-indazol-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for 1H-indazol-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for 1H-indazol-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1H-indazol-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is JRLSETHHMIZXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c27-22(21-19-7-3-4-8-20(19)23-24-21)25-11-13-26(14-12-25)30(28,29)18-10-9-16-5-1-2-6-17(16)15-18/h1-10,15H,11-14H2,(H,23,24).
What are the key properties of 1H-indazol-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
1H-indazol-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 420.49 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 2594755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).