2-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-1-nitroethenesulfonamide

C15H14N2O7S — CID 68943988

IUPAC2-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-1-nitroethenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)C(=Cc2ccc(O)c(O)c2)[N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O7S/c1-24-12-5-3-11(4-6-12)16-25(22,23)15(17(20)21)9-10-2-7-13(18)14(19)8-10/h2-9,16,18-19H,1H3
InChIKeyJAQXIKNRUQKAEC-UHFFFAOYSA-N
MW366.35 g/mol
LogP2.12
Rot. Bonds6

About 2-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-1-nitroethenesulfonamide

2-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-1-nitroethenesulfonamide (PubChem CID 68943988) has the molecular formula C15H14N2O7S and a molecular weight of 366.35 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-1-nitroethenesulfonamide.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-1-nitroethenesulfonamide
PubChem CID68943988
Molecular FormulaC15H14N2O7S
Molecular Weight366.35 g/mol
Exact Mass366.05
IUPAC Name2-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-1-nitroethenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)C(=Cc2ccc(O)c(O)c2)[N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O7S/c1-24-12-5-3-11(4-6-12)16-25(22,23)15(17(20)21)9-10-2-7-13(18)14(19)8-10/h2-9,16,18-19H,1H3
InChIKeyJAQXIKNRUQKAEC-UHFFFAOYSA-N
XLogP2.12
TPSA139.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-1-nitroethenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(3,4-dihydroxyphenyl)-2-[(4-methoxyphenyl)sulfamoyl]prop-2-enamide
CID 68946939
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 135852564
4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 135684425
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5065376
(Z)-2-[(4-chlorophenyl)sulfamoyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 68943332
2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3651261
1-cyano-2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 68940089
N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-4-methoxyaniline
CID 1487291
N-(4-methoxyphenyl)-4-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6153192
4-(2-nitro-2-phenylethenyl)benzene-1,2-diol
CID 76948542
1,3,5-trimethoxy-2-[2-[(4-methoxyphenyl)methylsulfonyl]-2-nitroethenyl]benzene
CID 68940905
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135795952

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-1-nitroethenesulfonamide?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-1-nitroethenesulfonamide (CID 68943988) is 2-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-1-nitroethenesulfonamide.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-1-nitroethenesulfonamide?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-1-nitroethenesulfonamide is COc1ccc(NS(=O)(=O)C(=Cc2ccc(O)c(O)c2)[N+](=O)[O-])cc1.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-1-nitroethenesulfonamide?
The InChIKey is JAQXIKNRUQKAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O7S/c1-24-12-5-3-11(4-6-12)16-25(22,23)15(17(20)21)9-10-2-7-13(18)14(19)8-10/h2-9,16,18-19H,1H3.
What are the key properties of 2-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-1-nitroethenesulfonamide?
2-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-1-nitroethenesulfonamide has a molecular weight of 366.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-1-nitroethenesulfonamide is sourced from PubChem (CID 68943988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).