6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-sulfonamide

C25H23NO5S — CID 57396081

IUPAC6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-sulfonamide
SMILESCOc1ccc(-c2ccc(NS(=O)(=O)c3ccc4cc(OC)ccc4c3)cc2OC)cc1
InChIInChI=1S/C25H23NO5S/c1-29-21-9-4-17(5-10-21)24-13-8-20(16-25(24)31-3)26-32(27,28)23-12-7-18-14-22(30-2)11-6-19(18)15-23/h4-16,26H,1-3H3
InChIKeyWWNCCLSCNCLJMF-UHFFFAOYSA-N
MW449.53 g/mol
LogP5.33
Rot. Bonds7

About 6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-sulfonamide

6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-sulfonamide (PubChem CID 57396081) has the molecular formula C25H23NO5S and a molecular weight of 449.53 g/mol. Its IUPAC name is 6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-sulfonamide
PubChem CID57396081
Molecular FormulaC25H23NO5S
Molecular Weight449.53 g/mol
Exact Mass449.13
IUPAC Name6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-sulfonamide
SMILESCOc1ccc(-c2ccc(NS(=O)(=O)c3ccc4cc(OC)ccc4c3)cc2OC)cc1
InChIInChI=1S/C25H23NO5S/c1-29-21-9-4-17(5-10-21)24-13-8-20(16-25(24)31-3)26-32(27,28)23-12-7-18-14-22(30-2)11-6-19(18)15-23/h4-16,26H,1-3H3
InChIKeyWWNCCLSCNCLJMF-UHFFFAOYSA-N
XLogP5.33
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.53
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of 6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-sulfonamide (CID 57396081) is 6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-sulfonamide is COc1ccc(-c2ccc(NS(=O)(=O)c3ccc4cc(OC)ccc4c3)cc2OC)cc1.
What is the InChIKey of 6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-sulfonamide?
The InChIKey is WWNCCLSCNCLJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5S/c1-29-21-9-4-17(5-10-21)24-13-8-20(16-25(24)31-3)26-32(27,28)23-12-7-18-14-22(30-2)11-6-19(18)15-23/h4-16,26H,1-3H3.
What are the key properties of 6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-sulfonamide?
6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-sulfonamide has a molecular weight of 449.53 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 57396081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).