(Z)-4-[4-(hydrazinesulfonyl)phenoxy]-4-oxobut-2-enoic acid

C10H10N2O6S — CID 67617126

IUPAC(Z)-4-[4-(hydrazinesulfonyl)phenoxy]-4-oxobut-2-enoic acid
SMILESNNS(=O)(=O)c1ccc(OC(=O)/C=C\C(=O)O)cc1
InChIInChI=1S/C10H10N2O6S/c11-12-19(16,17)8-3-1-7(2-4-8)18-10(15)6-5-9(13)14/h1-6,12H,11H2,(H,13,14)/b6-5-
InChIKeyWIPWQOLUADMHPH-WAYWQWQTSA-N
MW286.27 g/mol
LogP-0.62
Rot. Bonds5

About (Z)-4-[4-(hydrazinesulfonyl)phenoxy]-4-oxobut-2-enoic acid

(Z)-4-[4-(hydrazinesulfonyl)phenoxy]-4-oxobut-2-enoic acid (PubChem CID 67617126) has the molecular formula C10H10N2O6S and a molecular weight of 286.27 g/mol. Its IUPAC name is (Z)-4-[4-(hydrazinesulfonyl)phenoxy]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[4-(hydrazinesulfonyl)phenoxy]-4-oxobut-2-enoic acid
PubChem CID67617126
Molecular FormulaC10H10N2O6S
Molecular Weight286.27 g/mol
Exact Mass286.03
IUPAC Name(Z)-4-[4-(hydrazinesulfonyl)phenoxy]-4-oxobut-2-enoic acid
SMILESNNS(=O)(=O)c1ccc(OC(=O)/C=C\C(=O)O)cc1
InChIInChI=1S/C10H10N2O6S/c11-12-19(16,17)8-3-1-7(2-4-8)18-10(15)6-5-9(13)14/h1-6,12H,11H2,(H,13,14)/b6-5-
InChIKeyWIPWQOLUADMHPH-WAYWQWQTSA-N
XLogP-0.62
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-[3-(hydrazinesulfonyl)-4-phenoxyphenoxy]-4-oxobut-2-enoic acid
CID 67617013
(E)-4-(4-chlorophenoxy)-4-oxobut-2-enoic acid
CID 6439541
mercury;(Z)-4-oxo-4-phenoxybut-2-enoic acid
CID 67065285
4-(4-ethenylphenoxy)-4-oxobut-2-enoic acid
CID 68934918
(Z)-4-(4-ethenylphenoxy)-4-oxobut-2-enoic acid
CID 68934916
sodium 4-(hydrazinesulfonyl)phenolate
CID 143649981
4-(4-methylphenoxy)benzenesulfonohydrazide
CID 90979703
4-(trifluoromethoxy)benzenesulfonohydrazide
CID 2744727
4-but-2-enoyloxybenzenesulfonic acid
CID 56635705
benzenesulfonohydrazide;hydrate
CID 21414143
4-methylbenzenesulfonohydrazide
CID 15303
bis(4-fluorophenyl) (E)-but-2-enedioate
CID 175341971

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[4-(hydrazinesulfonyl)phenoxy]-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[4-(hydrazinesulfonyl)phenoxy]-4-oxobut-2-enoic acid (CID 67617126) is (Z)-4-[4-(hydrazinesulfonyl)phenoxy]-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[4-(hydrazinesulfonyl)phenoxy]-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[4-(hydrazinesulfonyl)phenoxy]-4-oxobut-2-enoic acid is NNS(=O)(=O)c1ccc(OC(=O)/C=C\C(=O)O)cc1.
What is the InChIKey of (Z)-4-[4-(hydrazinesulfonyl)phenoxy]-4-oxobut-2-enoic acid?
The InChIKey is WIPWQOLUADMHPH-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H10N2O6S/c11-12-19(16,17)8-3-1-7(2-4-8)18-10(15)6-5-9(13)14/h1-6,12H,11H2,(H,13,14)/b6-5-.
What are the key properties of (Z)-4-[4-(hydrazinesulfonyl)phenoxy]-4-oxobut-2-enoic acid?
(Z)-4-[4-(hydrazinesulfonyl)phenoxy]-4-oxobut-2-enoic acid has a molecular weight of 286.27 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[4-(hydrazinesulfonyl)phenoxy]-4-oxobut-2-enoic acid is sourced from PubChem (CID 67617126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).