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

C23H18N2O5S — CID 57390791

IUPAC6-methoxy-N-[4-(3-nitrophenyl)phenyl]naphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)Nc3ccc(-c4cccc([N+](=O)[O-])c4)cc3)ccc2c1
InChIInChI=1S/C23H18N2O5S/c1-30-22-11-7-19-15-23(12-8-18(19)14-22)31(28,29)24-20-9-5-16(6-10-20)17-3-2-4-21(13-17)25(26)27/h2-15,24H,1H3
InChIKeyYTJJORUJPJMPJQ-UHFFFAOYSA-N
MW434.47 g/mol
LogP5.22
Rot. Bonds6

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

6-methoxy-N-[4-(3-nitrophenyl)phenyl]naphthalene-2-sulfonamide (PubChem CID 57390791) has the molecular formula C23H18N2O5S and a molecular weight of 434.47 g/mol. Its IUPAC name is 6-methoxy-N-[4-(3-nitrophenyl)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-methoxy-N-[4-(3-nitrophenyl)phenyl]naphthalene-2-sulfonamide
PubChem CID57390791
Molecular FormulaC23H18N2O5S
Molecular Weight434.47 g/mol
Exact Mass434.09
IUPAC Name6-methoxy-N-[4-(3-nitrophenyl)phenyl]naphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)Nc3ccc(-c4cccc([N+](=O)[O-])c4)cc3)ccc2c1
InChIInChI=1S/C23H18N2O5S/c1-30-22-11-7-19-15-23(12-8-18(19)14-22)31(28,29)24-20-9-5-16(6-10-20)17-3-2-4-21(13-17)25(26)27/h2-15,24H,1H3
InChIKeyYTJJORUJPJMPJQ-UHFFFAOYSA-N
XLogP5.22
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[4-(3-nitrophenyl)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of 6-methoxy-N-[4-(3-nitrophenyl)phenyl]naphthalene-2-sulfonamide (CID 57390791) is 6-methoxy-N-[4-(3-nitrophenyl)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-methoxy-N-[4-(3-nitrophenyl)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-methoxy-N-[4-(3-nitrophenyl)phenyl]naphthalene-2-sulfonamide is COc1ccc2cc(S(=O)(=O)Nc3ccc(-c4cccc([N+](=O)[O-])c4)cc3)ccc2c1.
What is the InChIKey of 6-methoxy-N-[4-(3-nitrophenyl)phenyl]naphthalene-2-sulfonamide?
The InChIKey is YTJJORUJPJMPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5S/c1-30-22-11-7-19-15-23(12-8-18(19)14-22)31(28,29)24-20-9-5-16(6-10-20)17-3-2-4-21(13-17)25(26)27/h2-15,24H,1H3.
What are the key properties of 6-methoxy-N-[4-(3-nitrophenyl)phenyl]naphthalene-2-sulfonamide?
6-methoxy-N-[4-(3-nitrophenyl)phenyl]naphthalene-2-sulfonamide has a molecular weight of 434.47 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[4-(3-nitrophenyl)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 57390791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).