1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine;oxalic acid

C19H24N2O6S — CID 24747454

IUPAC1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine;oxalic acid
SMILESCC(C)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H22N2O2S.C2H2O4/c1-14(2)18-9-11-19(12-10-18)22(20,21)17-8-7-15-5-3-4-6-16(15)13-17;3-1(4)2(5)6/h3-8,13-14H,9-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyBPSFLMUOKFQEJI-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.71
Rot. Bonds3

About 1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine;oxalic acid

1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine;oxalic acid (PubChem CID 24747454) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine;oxalic acid
PubChem CID24747454
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC Name1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine;oxalic acid
SMILESCC(C)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H22N2O2S.C2H2O4/c1-14(2)18-9-11-19(12-10-18)22(20,21)17-8-7-15-5-3-4-6-16(15)13-17;3-1(4)2(5)6/h3-8,13-14H,9-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyBPSFLMUOKFQEJI-UHFFFAOYSA-N
XLogP1.71
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.71
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-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine;oxalic acid?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine;oxalic acid (CID 24747454) is 1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine;oxalic acid.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine;oxalic acid?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine;oxalic acid is CC(C)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine;oxalic acid?
The InChIKey is BPSFLMUOKFQEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S.C2H2O4/c1-14(2)18-9-11-19(12-10-18)22(20,21)17-8-7-15-5-3-4-6-16(15)13-17;3-1(4)2(5)6/h3-8,13-14H,9-12H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine;oxalic acid?
1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine;oxalic acid has a molecular weight of 408.48 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine;oxalic acid is sourced from PubChem (CID 24747454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).