4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide

C13H13N3O3S — CID 4850995

IUPAC4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN=Cc2ccccc2O)cc1
InChIInChI=1S/C13H13N3O3S/c14-20(18,19)12-7-5-11(6-8-12)16-15-9-10-3-1-2-4-13(10)17/h1-9,16-17H,(H2,14,18,19)
InChIKeyUEFFGJRLSQGTLX-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.49
Rot. Bonds4

About 4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide

4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide (PubChem CID 4850995) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
PubChem CID4850995
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN=Cc2ccccc2O)cc1
InChIInChI=1S/C13H13N3O3S/c14-20(18,19)12-7-5-11(6-8-12)16-15-9-10-3-1-2-4-13(10)17/h1-9,16-17H,(H2,14,18,19)
InChIKeyUEFFGJRLSQGTLX-UHFFFAOYSA-N
XLogP1.49
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4646161
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3681408
4-[(2E)-2-[(5-bromo-2-hydroxy-3-iodophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 135614343
4-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 50883758
4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile
CID 139084695
4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 5356621
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136807782
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide
CID 135489914
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
N-[(2-hydroxyphenyl)methylideneamino]ethanesulfonamide
CID 137228781
4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
CID 50883679
4-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 135625932

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide (CID 4850995) is 4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide is NS(=O)(=O)c1ccc(NN=Cc2ccccc2O)cc1.
What is the InChIKey of 4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is UEFFGJRLSQGTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c14-20(18,19)12-7-5-11(6-8-12)16-15-9-10-3-1-2-4-13(10)17/h1-9,16-17H,(H2,14,18,19).
What are the key properties of 4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide?
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 291.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 4850995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).