4-ethoxy-N-[4-[(4-ethoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide

C26H26N2O6S2 — CID 1358452

IUPAC4-ethoxy-N-[4-[(4-ethoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(OCC)cc3)c3ccccc23)cc1
InChIInChI=1S/C26H26N2O6S2/c1-3-33-19-9-13-21(14-10-19)35(29,30)27-25-17-18-26(24-8-6-5-7-23(24)25)28-36(31,32)22-15-11-20(12-16-22)34-4-2/h5-18,27-28H,3-4H2,1-2H3
InChIKeyGVQLOWNGYDYVQC-UHFFFAOYSA-N
MW526.64 g/mol
LogP5.24
Rot. Bonds10

About 4-ethoxy-N-[4-[(4-ethoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide

4-ethoxy-N-[4-[(4-ethoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide (PubChem CID 1358452) has the molecular formula C26H26N2O6S2 and a molecular weight of 526.64 g/mol. Its IUPAC name is 4-ethoxy-N-[4-[(4-ethoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-[(4-ethoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
PubChem CID1358452
Molecular FormulaC26H26N2O6S2
Molecular Weight526.64 g/mol
Exact Mass526.12
IUPAC Name4-ethoxy-N-[4-[(4-ethoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(OCC)cc3)c3ccccc23)cc1
InChIInChI=1S/C26H26N2O6S2/c1-3-33-19-9-13-21(14-10-19)35(29,30)27-25-17-18-26(24-8-6-5-7-23(24)25)28-36(31,32)22-15-11-20(12-16-22)34-4-2/h5-18,27-28H,3-4H2,1-2H3
InChIKeyGVQLOWNGYDYVQC-UHFFFAOYSA-N
XLogP5.24
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-[(4-ethoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[4-[(4-ethoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide (CID 1358452) is 4-ethoxy-N-[4-[(4-ethoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[4-[(4-ethoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[4-[(4-ethoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(OCC)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-ethoxy-N-[4-[(4-ethoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
The InChIKey is GVQLOWNGYDYVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O6S2/c1-3-33-19-9-13-21(14-10-19)35(29,30)27-25-17-18-26(24-8-6-5-7-23(24)25)28-36(31,32)22-15-11-20(12-16-22)34-4-2/h5-18,27-28H,3-4H2,1-2H3.
What are the key properties of 4-ethoxy-N-[4-[(4-ethoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
4-ethoxy-N-[4-[(4-ethoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide has a molecular weight of 526.64 g/mol, XLogP of 5.24, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-[(4-ethoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 1358452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).