3-(ethoxymethyl)-N'-(2-fluorophenyl)sulfonyl-5-methylbenzohydrazide

C17H19FN2O4S — CID 155545923

IUPAC3-(ethoxymethyl)-N'-(2-fluorophenyl)sulfonyl-5-methylbenzohydrazide
SMILESCCOCc1cc(C)cc(C(=O)NNS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C17H19FN2O4S/c1-3-24-11-13-8-12(2)9-14(10-13)17(21)19-20-25(22,23)16-7-5-4-6-15(16)18/h4-10,20H,3,11H2,1-2H3,(H,19,21)
InChIKeyJRPRFHKTWTUXLH-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.29
Rot. Bonds7

About 3-(ethoxymethyl)-N'-(2-fluorophenyl)sulfonyl-5-methylbenzohydrazide

3-(ethoxymethyl)-N'-(2-fluorophenyl)sulfonyl-5-methylbenzohydrazide (PubChem CID 155545923) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N'-(2-fluorophenyl)sulfonyl-5-methylbenzohydrazide.

Molecular Properties

Compound Name3-(ethoxymethyl)-N'-(2-fluorophenyl)sulfonyl-5-methylbenzohydrazide
PubChem CID155545923
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name3-(ethoxymethyl)-N'-(2-fluorophenyl)sulfonyl-5-methylbenzohydrazide
SMILESCCOCc1cc(C)cc(C(=O)NNS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C17H19FN2O4S/c1-3-24-11-13-8-12(2)9-14(10-13)17(21)19-20-25(22,23)16-7-5-4-6-15(16)18/h4-10,20H,3,11H2,1-2H3,(H,19,21)
InChIKeyJRPRFHKTWTUXLH-UHFFFAOYSA-N
XLogP2.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
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 3-(ethoxymethyl)-N'-(2-fluorophenyl)sulfonyl-5-methylbenzohydrazide?
The IUPAC name of 3-(ethoxymethyl)-N'-(2-fluorophenyl)sulfonyl-5-methylbenzohydrazide (CID 155545923) is 3-(ethoxymethyl)-N'-(2-fluorophenyl)sulfonyl-5-methylbenzohydrazide.
What is the SMILES notation for 3-(ethoxymethyl)-N'-(2-fluorophenyl)sulfonyl-5-methylbenzohydrazide?
The canonical SMILES for 3-(ethoxymethyl)-N'-(2-fluorophenyl)sulfonyl-5-methylbenzohydrazide is CCOCc1cc(C)cc(C(=O)NNS(=O)(=O)c2ccccc2F)c1.
What is the InChIKey of 3-(ethoxymethyl)-N'-(2-fluorophenyl)sulfonyl-5-methylbenzohydrazide?
The InChIKey is JRPRFHKTWTUXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-3-24-11-13-8-12(2)9-14(10-13)17(21)19-20-25(22,23)16-7-5-4-6-15(16)18/h4-10,20H,3,11H2,1-2H3,(H,19,21).
What are the key properties of 3-(ethoxymethyl)-N'-(2-fluorophenyl)sulfonyl-5-methylbenzohydrazide?
3-(ethoxymethyl)-N'-(2-fluorophenyl)sulfonyl-5-methylbenzohydrazide has a molecular weight of 366.41 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N'-(2-fluorophenyl)sulfonyl-5-methylbenzohydrazide is sourced from PubChem (CID 155545923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).