N'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide

C13H10ClFN2O3S — CID 134581202

IUPACN'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cccc(Cl)c1F
InChIInChI=1S/C13H10ClFN2O3S/c14-11-8-4-7-10(12(11)15)13(18)16-17-21(19,20)9-5-2-1-3-6-9/h1-8,17H,(H,16,18)
InChIKeyMEYVOIWMDCNRFA-UHFFFAOYSA-N
MW328.75 g/mol
LogP2.10
Rot. Bonds4

About N'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide

N'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide (PubChem CID 134581202) has the molecular formula C13H10ClFN2O3S and a molecular weight of 328.75 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide
PubChem CID134581202
Molecular FormulaC13H10ClFN2O3S
Molecular Weight328.75 g/mol
Exact Mass328.01
IUPAC NameN'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cccc(Cl)c1F
InChIInChI=1S/C13H10ClFN2O3S/c14-11-8-4-7-10(12(11)15)13(18)16-17-21(19,20)9-5-2-1-3-6-9/h1-8,17H,(H,16,18)
InChIKeyMEYVOIWMDCNRFA-UHFFFAOYSA-N
XLogP2.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide (CID 134581202) is N'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1cccc(Cl)c1F.
What is the InChIKey of N'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide?
The InChIKey is MEYVOIWMDCNRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O3S/c14-11-8-4-7-10(12(11)15)13(18)16-17-21(19,20)9-5-2-1-3-6-9/h1-8,17H,(H,16,18).
What are the key properties of N'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide?
N'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide has a molecular weight of 328.75 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide is sourced from PubChem (CID 134581202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).