4-(4-aminophenyl)sulfonylaniline;3-hydroxy-N-phenylnaphthalene-2-carboxamide

C29H25N3O4S — CID 70504923

IUPAC4-(4-aminophenyl)sulfonylaniline;3-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.O=C(Nc1ccccc1)c1cc2ccccc2cc1O
InChIInChI=1S/C17H13NO2.C12H12N2O2S/c19-16-11-13-7-5-4-6-12(13)10-15(16)17(20)18-14-8-2-1-3-9-14;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-11,19H,(H,18,20);1-8H,13-14H2
InChIKeyJDJMKGJREGTTLZ-UHFFFAOYSA-N
MW511.60 g/mol
LogP5.48
Rot. Bonds4

About 4-(4-aminophenyl)sulfonylaniline;3-hydroxy-N-phenylnaphthalene-2-carboxamide

4-(4-aminophenyl)sulfonylaniline;3-hydroxy-N-phenylnaphthalene-2-carboxamide (PubChem CID 70504923) has the molecular formula C29H25N3O4S and a molecular weight of 511.60 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfonylaniline;3-hydroxy-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfonylaniline;3-hydroxy-N-phenylnaphthalene-2-carboxamide
PubChem CID70504923
Molecular FormulaC29H25N3O4S
Molecular Weight511.60 g/mol
Exact Mass511.16
IUPAC Name4-(4-aminophenyl)sulfonylaniline;3-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.O=C(Nc1ccccc1)c1cc2ccccc2cc1O
InChIInChI=1S/C17H13NO2.C12H12N2O2S/c19-16-11-13-7-5-4-6-12(13)10-15(16)17(20)18-14-8-2-1-3-9-14;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-11,19H,(H,18,20);1-8H,13-14H2
InChIKeyJDJMKGJREGTTLZ-UHFFFAOYSA-N
XLogP5.48
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.60
LogP ≤ 55.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(4-aminophenyl)sulfonylaniline;3-hydroxy-N-phenylnaphthalene-2-carboxamide 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

sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 21118656
ethane;3-hydroxy-7-methyl-N-phenylnaphthalene-2-carboxamide;methane
CID 160768568
N-[3-(dimethylamino)phenyl]methanesulfonamide;3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 90862263
3-hydroxy-N-[4-(methylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 25469011
3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid
CID 160733684
4-amino-N-(4-aminophenyl)-2-hydroxybenzamide
CID 18931495
N-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide
CID 56569494
N-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
CID 19850925
3-methyl-N-phenylnaphthalene-2-carboxamide
CID 90742280
7-(hydroperoxymethyl)-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 20667848
4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid
CID 70359334
3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide
CID 19595926

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfonylaniline;3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of 4-(4-aminophenyl)sulfonylaniline;3-hydroxy-N-phenylnaphthalene-2-carboxamide (CID 70504923) is 4-(4-aminophenyl)sulfonylaniline;3-hydroxy-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for 4-(4-aminophenyl)sulfonylaniline;3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for 4-(4-aminophenyl)sulfonylaniline;3-hydroxy-N-phenylnaphthalene-2-carboxamide is Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.O=C(Nc1ccccc1)c1cc2ccccc2cc1O.
What is the InChIKey of 4-(4-aminophenyl)sulfonylaniline;3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The InChIKey is JDJMKGJREGTTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2.C12H12N2O2S/c19-16-11-13-7-5-4-6-12(13)10-15(16)17(20)18-14-8-2-1-3-9-14;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-11,19H,(H,18,20);1-8H,13-14H2.
What are the key properties of 4-(4-aminophenyl)sulfonylaniline;3-hydroxy-N-phenylnaphthalene-2-carboxamide?
4-(4-aminophenyl)sulfonylaniline;3-hydroxy-N-phenylnaphthalene-2-carboxamide has a molecular weight of 511.60 g/mol, XLogP of 5.48, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfonylaniline;3-hydroxy-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 70504923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).