4-amino-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide

C14H15N3O4S — CID 135431297

IUPAC4-amino-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccc(N)cc1)c1ccc(O)cc1O
InChIInChI=1S/C14H15N3O4S/c1-9(13-7-4-11(18)8-14(13)19)16-17-22(20,21)12-5-2-10(15)3-6-12/h2-8,17-19H,15H2,1H3/b16-9+
InChIKeyJGXFHSDPJUFJTK-CXUHLZMHSA-N
MW321.36 g/mol
LogP1.38
Rot. Bonds4

About 4-amino-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide

4-amino-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide (PubChem CID 135431297) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-amino-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
PubChem CID135431297
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name4-amino-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccc(N)cc1)c1ccc(O)cc1O
InChIInChI=1S/C14H15N3O4S/c1-9(13-7-4-11(18)8-14(13)19)16-17-22(20,21)12-5-2-10(15)3-6-12/h2-8,17-19H,15H2,1H3/b16-9+
InChIKeyJGXFHSDPJUFJTK-CXUHLZMHSA-N
XLogP1.38
TPSA125.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135679431
4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135679456
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-ethylbenzenesulfonamide
CID 135647665
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]naphthalene-2-sulfonamide
CID 135647660
4-[N-(2,4-diaminoanilino)-C-methylcarbonimidoyl]benzene-1,3-diol
CID 142674599
N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide
CID 135431303
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073289
N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 78093079
4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135948718
4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide
CID 6009587
1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-methylthiourea
CID 135676243
2-amino-N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 137150949

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-amino-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide (CID 135431297) is 4-amino-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide is C/C(=N\NS(=O)(=O)c1ccc(N)cc1)c1ccc(O)cc1O.
What is the InChIKey of 4-amino-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide?
The InChIKey is JGXFHSDPJUFJTK-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-9(13-7-4-11(18)8-14(13)19)16-17-22(20,21)12-5-2-10(15)3-6-12/h2-8,17-19H,15H2,1H3/b16-9+.
What are the key properties of 4-amino-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide?
4-amino-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide has a molecular weight of 321.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 135431297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).