6-methoxy-N-(4-phenylphenyl)naphthalene-2-sulfonamide

C23H19NO3S — CID 57403085

IUPAC6-methoxy-N-(4-phenylphenyl)naphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)Nc3ccc(-c4ccccc4)cc3)ccc2c1
InChIInChI=1S/C23H19NO3S/c1-27-22-13-9-20-16-23(14-10-19(20)15-22)28(25,26)24-21-11-7-18(8-12-21)17-5-3-2-4-6-17/h2-16,24H,1H3
InChIKeyIMQYTSHDDIKYCP-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.32
Rot. Bonds5

About 6-methoxy-N-(4-phenylphenyl)naphthalene-2-sulfonamide

6-methoxy-N-(4-phenylphenyl)naphthalene-2-sulfonamide (PubChem CID 57403085) has the molecular formula C23H19NO3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 6-methoxy-N-(4-phenylphenyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-methoxy-N-(4-phenylphenyl)naphthalene-2-sulfonamide
PubChem CID57403085
Molecular FormulaC23H19NO3S
Molecular Weight389.48 g/mol
Exact Mass389.11
IUPAC Name6-methoxy-N-(4-phenylphenyl)naphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)Nc3ccc(-c4ccccc4)cc3)ccc2c1
InChIInChI=1S/C23H19NO3S/c1-27-22-13-9-20-16-23(14-10-19(20)15-22)28(25,26)24-21-11-7-18(8-12-21)17-5-3-2-4-6-17/h2-16,24H,1H3
InChIKeyIMQYTSHDDIKYCP-UHFFFAOYSA-N
XLogP5.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-phenylphenyl)naphthalene-2-sulfonamide?
The IUPAC name of 6-methoxy-N-(4-phenylphenyl)naphthalene-2-sulfonamide (CID 57403085) is 6-methoxy-N-(4-phenylphenyl)naphthalene-2-sulfonamide.
What is the SMILES notation for 6-methoxy-N-(4-phenylphenyl)naphthalene-2-sulfonamide?
The canonical SMILES for 6-methoxy-N-(4-phenylphenyl)naphthalene-2-sulfonamide is COc1ccc2cc(S(=O)(=O)Nc3ccc(-c4ccccc4)cc3)ccc2c1.
What is the InChIKey of 6-methoxy-N-(4-phenylphenyl)naphthalene-2-sulfonamide?
The InChIKey is IMQYTSHDDIKYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3S/c1-27-22-13-9-20-16-23(14-10-19(20)15-22)28(25,26)24-21-11-7-18(8-12-21)17-5-3-2-4-6-17/h2-16,24H,1H3.
What are the key properties of 6-methoxy-N-(4-phenylphenyl)naphthalene-2-sulfonamide?
6-methoxy-N-(4-phenylphenyl)naphthalene-2-sulfonamide has a molecular weight of 389.48 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-phenylphenyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 57403085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).