N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide

C23H18N2O4S — CID 3711743

IUPACN-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
SMILESCOc1ccccc1NC1=CC(=NS(=O)(=O)c2ccccc2)c2ccccc2C1=O
InChIInChI=1S/C23H18N2O4S/c1-29-22-14-8-7-13-19(22)24-21-15-20(17-11-5-6-12-18(17)23(21)26)25-30(27,28)16-9-3-2-4-10-16/h2-15,24H,1H3
InChIKeyGTFZYECFHWDORG-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.07
Rot. Bonds5

About N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide

N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide (PubChem CID 3711743) has the molecular formula C23H18N2O4S and a molecular weight of 418.47 g/mol. Its IUPAC name is N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
PubChem CID3711743
Molecular FormulaC23H18N2O4S
Molecular Weight418.47 g/mol
Exact Mass418.10
IUPAC NameN-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
SMILESCOc1ccccc1NC1=CC(=NS(=O)(=O)c2ccccc2)c2ccccc2C1=O
InChIInChI=1S/C23H18N2O4S/c1-29-22-14-8-7-13-19(22)24-21-15-20(17-11-5-6-12-18(17)23(21)26)25-30(27,28)16-9-3-2-4-10-16/h2-15,24H,1H3
InChIKeyGTFZYECFHWDORG-UHFFFAOYSA-N
XLogP4.07
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide 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

N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-[2-methoxy-5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 139033920
(2-Benzamidophenyl) 4-methoxybenzenesulfonate
CID 9886310
N-(5-(azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 16296311
N-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 139033918
N-[5-(azocan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 145946047
N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-methoxybenzenesulfonamide
CID 1184117
N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]thiophene-2-sulfonamide
CID 1184135
4-(dimethylsulfamoyl)-N-(2-methoxyphenyl)benzamide
CID 1547898
4-ethoxy-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 3250380
5-(benzylsulfamoyl)-2-fluoro-N-(2-methoxyphenyl)benzamide
CID 3360601
4-methoxy-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 4130213

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
The IUPAC name of N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide (CID 3711743) is N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide.
What is the SMILES notation for N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
The canonical SMILES for N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide is COc1ccccc1NC1=CC(=NS(=O)(=O)c2ccccc2)c2ccccc2C1=O.
What is the InChIKey of N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
The InChIKey is GTFZYECFHWDORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4S/c1-29-22-14-8-7-13-19(22)24-21-15-20(17-11-5-6-12-18(17)23(21)26)25-30(27,28)16-9-3-2-4-10-16/h2-15,24H,1H3.
What are the key properties of N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide has a molecular weight of 418.47 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide is sourced from PubChem (CID 3711743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).