1-(2,3-dihydro-1H-inden-2-yl)-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid

C25H26N2O6S — CID 2901709

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
SMILESO=C(O)C(=O)O.O=S(=O)(c1ccc2ccccc2c1)N1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C23H24N2O2S.C2H2O4/c26-28(27,23-10-9-18-5-1-2-8-21(18)17-23)25-13-11-24(12-14-25)22-15-19-6-3-4-7-20(19)16-22;3-1(4)2(5)6/h1-10,17,22H,11-16H2;(H,3,4)(H,5,6)
InChIKeyQJGUPGVZOXRJHO-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.47
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-2-yl)-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid

1-(2,3-dihydro-1H-inden-2-yl)-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid (PubChem CID 2901709) has the molecular formula C25H26N2O6S and a molecular weight of 482.56 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
PubChem CID2901709
Molecular FormulaC25H26N2O6S
Molecular Weight482.56 g/mol
Exact Mass482.15
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
SMILESO=C(O)C(=O)O.O=S(=O)(c1ccc2ccccc2c1)N1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C23H24N2O2S.C2H2O4/c26-28(27,23-10-9-18-5-1-2-8-21(18)17-23)25-13-11-24(12-14-25)22-15-19-6-3-4-7-20(19)16-22;3-1(4)2(5)6/h1-10,17,22H,11-16H2;(H,3,4)(H,5,6)
InChIKeyQJGUPGVZOXRJHO-UHFFFAOYSA-N
XLogP2.47
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid (CID 2901709) is 1-(2,3-dihydro-1H-inden-2-yl)-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid is O=C(O)C(=O)O.O=S(=O)(c1ccc2ccccc2c1)N1CCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid?
The InChIKey is QJGUPGVZOXRJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S.C2H2O4/c26-28(27,23-10-9-18-5-1-2-8-21(18)17-23)25-13-11-24(12-14-25)22-15-19-6-3-4-7-20(19)16-22;3-1(4)2(5)6/h1-10,17,22H,11-16H2;(H,3,4)(H,5,6).
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid?
1-(2,3-dihydro-1H-inden-2-yl)-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid has a molecular weight of 482.56 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid is sourced from PubChem (CID 2901709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).