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

C24H21NO4S — CID 57390790

IUPAC6-methoxy-N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide
SMILESCOc1cccc(-c2ccc(NS(=O)(=O)c3ccc4cc(OC)ccc4c3)cc2)c1
InChIInChI=1S/C24H21NO4S/c1-28-22-5-3-4-18(14-22)17-6-10-21(11-7-17)25-30(26,27)24-13-9-19-15-23(29-2)12-8-20(19)16-24/h3-16,25H,1-2H3
InChIKeyYTKBMDAKISCPDR-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.32
Rot. Bonds6

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

6-methoxy-N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide (PubChem CID 57390790) has the molecular formula C24H21NO4S and a molecular weight of 419.50 g/mol. Its IUPAC name is 6-methoxy-N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-methoxy-N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide
PubChem CID57390790
Molecular FormulaC24H21NO4S
Molecular Weight419.50 g/mol
Exact Mass419.12
IUPAC Name6-methoxy-N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide
SMILESCOc1cccc(-c2ccc(NS(=O)(=O)c3ccc4cc(OC)ccc4c3)cc2)c1
InChIInChI=1S/C24H21NO4S/c1-28-22-5-3-4-18(14-22)17-6-10-21(11-7-17)25-30(26,27)24-13-9-19-15-23(29-2)12-8-20(19)16-24/h3-16,25H,1-2H3
InChIKeyYTKBMDAKISCPDR-UHFFFAOYSA-N
XLogP5.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of 6-methoxy-N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide (CID 57390790) is 6-methoxy-N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-methoxy-N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-methoxy-N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide is COc1cccc(-c2ccc(NS(=O)(=O)c3ccc4cc(OC)ccc4c3)cc2)c1.
What is the InChIKey of 6-methoxy-N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide?
The InChIKey is YTKBMDAKISCPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4S/c1-28-22-5-3-4-18(14-22)17-6-10-21(11-7-17)25-30(26,27)24-13-9-19-15-23(29-2)12-8-20(19)16-24/h3-16,25H,1-2H3.
What are the key properties of 6-methoxy-N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide?
6-methoxy-N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide has a molecular weight of 419.50 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 57390790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).