N'-(4-chloro-2-fluorophenyl)sulfonyl-2-hydroxybenzohydrazide

C13H10ClFN2O4S — CID 8511187

IUPACN'-(4-chloro-2-fluorophenyl)sulfonyl-2-hydroxybenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1O
InChIInChI=1S/C13H10ClFN2O4S/c14-8-5-6-12(10(15)7-8)22(20,21)17-16-13(19)9-3-1-2-4-11(9)18/h1-7,17-18H,(H,16,19)
InChIKeyDXRHEMRWMZKUEC-UHFFFAOYSA-N
MW344.75 g/mol
LogP1.81
Rot. Bonds4

About N'-(4-chloro-2-fluorophenyl)sulfonyl-2-hydroxybenzohydrazide

N'-(4-chloro-2-fluorophenyl)sulfonyl-2-hydroxybenzohydrazide (PubChem CID 8511187) has the molecular formula C13H10ClFN2O4S and a molecular weight of 344.75 g/mol. Its IUPAC name is N'-(4-chloro-2-fluorophenyl)sulfonyl-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-2-fluorophenyl)sulfonyl-2-hydroxybenzohydrazide
PubChem CID8511187
Molecular FormulaC13H10ClFN2O4S
Molecular Weight344.75 g/mol
Exact Mass344.00
IUPAC NameN'-(4-chloro-2-fluorophenyl)sulfonyl-2-hydroxybenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1O
InChIInChI=1S/C13H10ClFN2O4S/c14-8-5-6-12(10(15)7-8)22(20,21)17-16-13(19)9-3-1-2-4-11(9)18/h1-7,17-18H,(H,16,19)
InChIKeyDXRHEMRWMZKUEC-UHFFFAOYSA-N
XLogP1.81
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-chloro-2-fluorophenyl)sulfonyl-2-hydroxybenzohydrazide?
The IUPAC name of N'-(4-chloro-2-fluorophenyl)sulfonyl-2-hydroxybenzohydrazide (CID 8511187) is N'-(4-chloro-2-fluorophenyl)sulfonyl-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-(4-chloro-2-fluorophenyl)sulfonyl-2-hydroxybenzohydrazide?
The canonical SMILES for N'-(4-chloro-2-fluorophenyl)sulfonyl-2-hydroxybenzohydrazide is O=C(NNS(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1O.
What is the InChIKey of N'-(4-chloro-2-fluorophenyl)sulfonyl-2-hydroxybenzohydrazide?
The InChIKey is DXRHEMRWMZKUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O4S/c14-8-5-6-12(10(15)7-8)22(20,21)17-16-13(19)9-3-1-2-4-11(9)18/h1-7,17-18H,(H,16,19).
What are the key properties of N'-(4-chloro-2-fluorophenyl)sulfonyl-2-hydroxybenzohydrazide?
N'-(4-chloro-2-fluorophenyl)sulfonyl-2-hydroxybenzohydrazide has a molecular weight of 344.75 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-fluorophenyl)sulfonyl-2-hydroxybenzohydrazide is sourced from PubChem (CID 8511187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).