N-[4-(3,4-dimethoxyphenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide

C25H23NO5S — CID 57403049

IUPACN-[4-(3,4-dimethoxyphenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)Nc3ccc(-c4ccc(OC)c(OC)c4)cc3)ccc2c1
InChIInChI=1S/C25H23NO5S/c1-29-22-11-6-19-15-23(12-7-18(19)14-22)32(27,28)26-21-9-4-17(5-10-21)20-8-13-24(30-2)25(16-20)31-3/h4-16,26H,1-3H3
InChIKeyILYMLIIWPUWOSS-UHFFFAOYSA-N
MW449.53 g/mol
LogP5.33
Rot. Bonds7

About N-[4-(3,4-dimethoxyphenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide

N-[4-(3,4-dimethoxyphenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide (PubChem CID 57403049) has the molecular formula C25H23NO5S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
PubChem CID57403049
Molecular FormulaC25H23NO5S
Molecular Weight449.53 g/mol
Exact Mass449.13
IUPAC NameN-[4-(3,4-dimethoxyphenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)Nc3ccc(-c4ccc(OC)c(OC)c4)cc3)ccc2c1
InChIInChI=1S/C25H23NO5S/c1-29-22-11-6-19-15-23(12-7-18(19)14-22)32(27,28)26-21-9-4-17(5-10-21)20-8-13-24(30-2)25(16-20)31-3/h4-16,26H,1-3H3
InChIKeyILYMLIIWPUWOSS-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 N-[4-(3,4-dimethoxyphenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide (CID 57403049) is N-[4-(3,4-dimethoxyphenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide is COc1ccc2cc(S(=O)(=O)Nc3ccc(-c4ccc(OC)c(OC)c4)cc3)ccc2c1.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide?
The InChIKey is ILYMLIIWPUWOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5S/c1-29-22-11-6-19-15-23(12-7-18(19)14-22)32(27,28)26-21-9-4-17(5-10-21)20-8-13-24(30-2)25(16-20)31-3/h4-16,26H,1-3H3.
What are the key properties of N-[4-(3,4-dimethoxyphenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide?
N-[4-(3,4-dimethoxyphenyl)phenyl]-6-methoxynaphthalene-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 N-[4-(3,4-dimethoxyphenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide is sourced from PubChem (CID 57403049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).