(2-methoxyanilino) 4-aminobenzenesulfonate

C13H14N2O4S — CID 88734298

IUPAC(2-methoxyanilino) 4-aminobenzenesulfonate
SMILESCOc1ccccc1NOS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H14N2O4S/c1-18-13-5-3-2-4-12(13)15-19-20(16,17)11-8-6-10(14)7-9-11/h2-9,15H,14H2,1H3
InChIKeyCHUDAVIDRZORFQ-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.01
Rot. Bonds5

About (2-methoxyanilino) 4-aminobenzenesulfonate

(2-methoxyanilino) 4-aminobenzenesulfonate (PubChem CID 88734298) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is (2-methoxyanilino) 4-aminobenzenesulfonate.

Molecular Properties

Compound Name(2-methoxyanilino) 4-aminobenzenesulfonate
PubChem CID88734298
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name(2-methoxyanilino) 4-aminobenzenesulfonate
SMILESCOc1ccccc1NOS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H14N2O4S/c1-18-13-5-3-2-4-12(13)15-19-20(16,17)11-8-6-10(14)7-9-11/h2-9,15H,14H2,1H3
InChIKeyCHUDAVIDRZORFQ-UHFFFAOYSA-N
XLogP2.01
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyphenyl)sulfonylaniline
CID 10801498
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777
N-(4-aminophenyl)sulfanyl-2-methoxyaniline
CID 143924264
3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide
CID 28713140
(2-fluoroanilino) benzenesulfonate
CID 57261347
5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43255479
2-[(4-methylphenyl)sulfonyloxyamino]benzoic acid
CID 15210078
(2-methoxyanilino)methanone
CID 91159074
3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide
CID 115421139
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
2-methoxyaniline;4-methylaniline
CID 159047028

Frequently Asked Questions

What is the IUPAC name of (2-methoxyanilino) 4-aminobenzenesulfonate?
The IUPAC name of (2-methoxyanilino) 4-aminobenzenesulfonate (CID 88734298) is (2-methoxyanilino) 4-aminobenzenesulfonate.
What is the SMILES notation for (2-methoxyanilino) 4-aminobenzenesulfonate?
The canonical SMILES for (2-methoxyanilino) 4-aminobenzenesulfonate is COc1ccccc1NOS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of (2-methoxyanilino) 4-aminobenzenesulfonate?
The InChIKey is CHUDAVIDRZORFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-18-13-5-3-2-4-12(13)15-19-20(16,17)11-8-6-10(14)7-9-11/h2-9,15H,14H2,1H3.
What are the key properties of (2-methoxyanilino) 4-aminobenzenesulfonate?
(2-methoxyanilino) 4-aminobenzenesulfonate has a molecular weight of 294.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyanilino) 4-aminobenzenesulfonate is sourced from PubChem (CID 88734298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).