4-[2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]benzenesulfonate

C14H13N2O4S- — CID 3424835

IUPAC4-[2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]benzenesulfonate
SMILESCC(=NNc1ccc(S(=O)(=O)[O-])cc1)c1ccc(O)cc1
InChIInChI=1S/C14H14N2O4S/c1-10(11-2-6-13(17)7-3-11)15-16-12-4-8-14(9-5-12)21(18,19)20/h2-9,16-17H,1H3,(H,18,19,20)/p-1
InChIKeyCNDZGGXMVNXVHT-UHFFFAOYSA-M
MW305.34 g/mol
LogP2.13
Rot. Bonds4

About 4-[2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]benzenesulfonate

4-[2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]benzenesulfonate (PubChem CID 3424835) has the molecular formula C14H13N2O4S- and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-[2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]benzenesulfonate.

Molecular Properties

Compound Name4-[2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]benzenesulfonate
PubChem CID3424835
Molecular FormulaC14H13N2O4S-
Molecular Weight305.34 g/mol
Exact Mass305.06
IUPAC Name4-[2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]benzenesulfonate
SMILESCC(=NNc1ccc(S(=O)(=O)[O-])cc1)c1ccc(O)cc1
InChIInChI=1S/C14H14N2O4S/c1-10(11-2-6-13(17)7-3-11)15-16-12-4-8-14(9-5-12)21(18,19)20/h2-9,16-17H,1H3,(H,18,19,20)/p-1
InChIKeyCNDZGGXMVNXVHT-UHFFFAOYSA-M
XLogP2.13
TPSA101.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 7066751
4-methylsulfonyl-N-[(E)-1-pyridin-4-ylethylideneamino]aniline
CID 97311336
4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 121473240
lithium;sodium;bis(4-hydroxybenzenesulfonate)
CID 173430636
4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135948718
4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate
CID 9012893
4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 9012894
disodium;bis(4-hydroxybenzenesulfonate);dihydrate
CID 160943601
zinc;bis(4-hydroxybenzenesulfonate);hydrate
CID 140994815
4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide
CID 9058961
4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate
CID 7761403
4-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 7950665

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]benzenesulfonate?
The IUPAC name of 4-[2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]benzenesulfonate (CID 3424835) is 4-[2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]benzenesulfonate.
What is the SMILES notation for 4-[2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]benzenesulfonate?
The canonical SMILES for 4-[2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]benzenesulfonate is CC(=NNc1ccc(S(=O)(=O)[O-])cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]benzenesulfonate?
The InChIKey is CNDZGGXMVNXVHT-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14N2O4S/c1-10(11-2-6-13(17)7-3-11)15-16-12-4-8-14(9-5-12)21(18,19)20/h2-9,16-17H,1H3,(H,18,19,20)/p-1.
What are the key properties of 4-[2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]benzenesulfonate?
4-[2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]benzenesulfonate has a molecular weight of 305.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]benzenesulfonate is sourced from PubChem (CID 3424835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).