N'-(4-chlorophenyl)sulfonyl-2,4-dihydroxybenzohydrazide

C13H11ClN2O5S — CID 808082

IUPACN'-(4-chlorophenyl)sulfonyl-2,4-dihydroxybenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(O)cc1O
InChIInChI=1S/C13H11ClN2O5S/c14-8-1-4-10(5-2-8)22(20,21)16-15-13(19)11-6-3-9(17)7-12(11)18/h1-7,16-18H,(H,15,19)
InChIKeyCKBKEUZUVQZOPS-UHFFFAOYSA-N
MW342.76 g/mol
LogP1.37
Rot. Bonds4

About N'-(4-chlorophenyl)sulfonyl-2,4-dihydroxybenzohydrazide

N'-(4-chlorophenyl)sulfonyl-2,4-dihydroxybenzohydrazide (PubChem CID 808082) has the molecular formula C13H11ClN2O5S and a molecular weight of 342.76 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonyl-2,4-dihydroxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonyl-2,4-dihydroxybenzohydrazide
PubChem CID808082
Molecular FormulaC13H11ClN2O5S
Molecular Weight342.76 g/mol
Exact Mass342.01
IUPAC NameN'-(4-chlorophenyl)sulfonyl-2,4-dihydroxybenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(O)cc1O
InChIInChI=1S/C13H11ClN2O5S/c14-8-1-4-10(5-2-8)22(20,21)16-15-13(19)11-6-3-9(17)7-12(11)18/h1-7,16-18H,(H,15,19)
InChIKeyCKBKEUZUVQZOPS-UHFFFAOYSA-N
XLogP1.37
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonyl-2,4-dihydroxybenzohydrazide?
The IUPAC name of N'-(4-chlorophenyl)sulfonyl-2,4-dihydroxybenzohydrazide (CID 808082) is N'-(4-chlorophenyl)sulfonyl-2,4-dihydroxybenzohydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonyl-2,4-dihydroxybenzohydrazide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonyl-2,4-dihydroxybenzohydrazide is O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(O)cc1O.
What is the InChIKey of N'-(4-chlorophenyl)sulfonyl-2,4-dihydroxybenzohydrazide?
The InChIKey is CKBKEUZUVQZOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O5S/c14-8-1-4-10(5-2-8)22(20,21)16-15-13(19)11-6-3-9(17)7-12(11)18/h1-7,16-18H,(H,15,19).
What are the key properties of N'-(4-chlorophenyl)sulfonyl-2,4-dihydroxybenzohydrazide?
N'-(4-chlorophenyl)sulfonyl-2,4-dihydroxybenzohydrazide has a molecular weight of 342.76 g/mol, XLogP of 1.37, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)sulfonyl-2,4-dihydroxybenzohydrazide is sourced from PubChem (CID 808082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).