3-methoxy-N-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide

C24H22N2O6S2 — CID 122194809

IUPAC3-methoxy-N-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cccc(OC)c3)c3ccccc23)cc1
InChIInChI=1S/C24H22N2O6S2/c1-31-17-10-12-19(13-11-17)33(27,28)25-23-14-15-24(22-9-4-3-8-21(22)23)26-34(29,30)20-7-5-6-18(16-20)32-2/h3-16,25-26H,1-2H3
InChIKeyQDYOWSKLZIUOND-UHFFFAOYSA-N
MW498.58 g/mol
LogP4.46
Rot. Bonds8

About 3-methoxy-N-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide

3-methoxy-N-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide (PubChem CID 122194809) has the molecular formula C24H22N2O6S2 and a molecular weight of 498.58 g/mol. Its IUPAC name is 3-methoxy-N-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
PubChem CID122194809
Molecular FormulaC24H22N2O6S2
Molecular Weight498.58 g/mol
Exact Mass498.09
IUPAC Name3-methoxy-N-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cccc(OC)c3)c3ccccc23)cc1
InChIInChI=1S/C24H22N2O6S2/c1-31-17-10-12-19(13-11-17)33(27,28)25-23-14-15-24(22-9-4-3-8-21(22)23)26-34(29,30)20-7-5-6-18(16-20)32-2/h3-16,25-26H,1-2H3
InChIKeyQDYOWSKLZIUOND-UHFFFAOYSA-N
XLogP4.46
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.46
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 3-methoxy-N-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide (CID 122194809) is 3-methoxy-N-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cccc(OC)c3)c3ccccc23)cc1.
What is the InChIKey of 3-methoxy-N-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
The InChIKey is QDYOWSKLZIUOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6S2/c1-31-17-10-12-19(13-11-17)33(27,28)25-23-14-15-24(22-9-4-3-8-21(22)23)26-34(29,30)20-7-5-6-18(16-20)32-2/h3-16,25-26H,1-2H3.
What are the key properties of 3-methoxy-N-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
3-methoxy-N-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide has a molecular weight of 498.58 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 122194809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).