6-(4-amino-3-methoxyanilino)naphthalene-2-sulfonic acid

C17H16N2O4S — CID 143837185

IUPAC6-(4-amino-3-methoxyanilino)naphthalene-2-sulfonic acid
SMILESCOc1cc(Nc2ccc3cc(S(=O)(=O)O)ccc3c2)ccc1N
InChIInChI=1S/C17H16N2O4S/c1-23-17-10-14(5-7-16(17)18)19-13-4-2-12-9-15(24(20,21)22)6-3-11(12)8-13/h2-10,19H,18H2,1H3,(H,20,21,22)
InChIKeyWXEHOZYFVLNEGC-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.42
Rot. Bonds4

About 6-(4-amino-3-methoxyanilino)naphthalene-2-sulfonic acid

6-(4-amino-3-methoxyanilino)naphthalene-2-sulfonic acid (PubChem CID 143837185) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 6-(4-amino-3-methoxyanilino)naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name6-(4-amino-3-methoxyanilino)naphthalene-2-sulfonic acid
PubChem CID143837185
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name6-(4-amino-3-methoxyanilino)naphthalene-2-sulfonic acid
SMILESCOc1cc(Nc2ccc3cc(S(=O)(=O)O)ccc3c2)ccc1N
InChIInChI=1S/C17H16N2O4S/c1-23-17-10-14(5-7-16(17)18)19-13-4-2-12-9-15(24(20,21)22)6-3-11(12)8-13/h2-10,19H,18H2,1H3,(H,20,21,22)
InChIKeyWXEHOZYFVLNEGC-UHFFFAOYSA-N
XLogP3.42
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 6-(4-amino-3-methoxyanilino)naphthalene-2-sulfonic acid 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

4-(4-amino-3-methoxyanilino)-3-nitrobenzenesulfonic acid
CID 23314267
3-[(4-amino-3-methoxyphenyl)sulfonylamino]benzenesulfonic acid
CID 54467936
iron;6-methoxynaphthalene-2-sulfonic acid
CID 87610362
3-amino-4-methoxybenzenesulfonic acid;molecular nitrogen
CID 175429232
2,4-dimethoxyaniline;sulfuric acid
CID 160678823
4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55233537
7-(4-amino-3-sulfoanilino)-3-[[4-[[2,5-dimethoxy-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 137200909
3-methoxy-4-methyl-N-phenylaniline;4-methylbenzenesulfonic acid
CID 91301925
4-[(3-amino-4-methoxybenzoyl)amino]benzenesulfonic acid
CID 21406545
4-N-[4-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine
CID 63669994
3-amino-4-methoxybenzenesulfonic acid;3-amino-4-methylbenzenesulfonic acid
CID 19877100
2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 63670108

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-3-methoxyanilino)naphthalene-2-sulfonic acid?
The IUPAC name of 6-(4-amino-3-methoxyanilino)naphthalene-2-sulfonic acid (CID 143837185) is 6-(4-amino-3-methoxyanilino)naphthalene-2-sulfonic acid.
What is the SMILES notation for 6-(4-amino-3-methoxyanilino)naphthalene-2-sulfonic acid?
The canonical SMILES for 6-(4-amino-3-methoxyanilino)naphthalene-2-sulfonic acid is COc1cc(Nc2ccc3cc(S(=O)(=O)O)ccc3c2)ccc1N.
What is the InChIKey of 6-(4-amino-3-methoxyanilino)naphthalene-2-sulfonic acid?
The InChIKey is WXEHOZYFVLNEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-23-17-10-14(5-7-16(17)18)19-13-4-2-12-9-15(24(20,21)22)6-3-11(12)8-13/h2-10,19H,18H2,1H3,(H,20,21,22).
What are the key properties of 6-(4-amino-3-methoxyanilino)naphthalene-2-sulfonic acid?
6-(4-amino-3-methoxyanilino)naphthalene-2-sulfonic acid has a molecular weight of 344.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-3-methoxyanilino)naphthalene-2-sulfonic acid is sourced from PubChem (CID 143837185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).