3-ethoxy-N'-(2-fluoro-4-methylphenyl)sulfonyl-5-methylbenzohydrazide

C17H19FN2O4S — CID 155511214

IUPAC3-ethoxy-N'-(2-fluoro-4-methylphenyl)sulfonyl-5-methylbenzohydrazide
SMILESCCOc1cc(C)cc(C(=O)NNS(=O)(=O)c2ccc(C)cc2F)c1
InChIInChI=1S/C17H19FN2O4S/c1-4-24-14-8-12(3)7-13(10-14)17(21)19-20-25(22,23)16-6-5-11(2)9-15(16)18/h5-10,20H,4H2,1-3H3,(H,19,21)
InChIKeyVHRATIBEBBHSRJ-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.46
Rot. Bonds6

About 3-ethoxy-N'-(2-fluoro-4-methylphenyl)sulfonyl-5-methylbenzohydrazide

3-ethoxy-N'-(2-fluoro-4-methylphenyl)sulfonyl-5-methylbenzohydrazide (PubChem CID 155511214) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 3-ethoxy-N'-(2-fluoro-4-methylphenyl)sulfonyl-5-methylbenzohydrazide.

Molecular Properties

Compound Name3-ethoxy-N'-(2-fluoro-4-methylphenyl)sulfonyl-5-methylbenzohydrazide
PubChem CID155511214
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name3-ethoxy-N'-(2-fluoro-4-methylphenyl)sulfonyl-5-methylbenzohydrazide
SMILESCCOc1cc(C)cc(C(=O)NNS(=O)(=O)c2ccc(C)cc2F)c1
InChIInChI=1S/C17H19FN2O4S/c1-4-24-14-8-12(3)7-13(10-14)17(21)19-20-25(22,23)16-6-5-11(2)9-15(16)18/h5-10,20H,4H2,1-3H3,(H,19,21)
InChIKeyVHRATIBEBBHSRJ-UHFFFAOYSA-N
XLogP2.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.46
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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Related Compounds

N'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide
CID 155558104
3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide
CID 8515948
N-(2,4-dimethylphenyl)sulfonyl-3-ethoxybenzamide
CID 60527818
N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523643
N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide
CID 55353346
N'-(2,4-difluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504905
3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 135298630
N-ethyl-2-fluoro-4-methylbenzenesulfonamide
CID 130158865
N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617249
4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 8523206
2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide
CID 8515553
N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N'-(2-fluoro-4-methylphenyl)sulfonyl-5-methylbenzohydrazide?
The IUPAC name of 3-ethoxy-N'-(2-fluoro-4-methylphenyl)sulfonyl-5-methylbenzohydrazide (CID 155511214) is 3-ethoxy-N'-(2-fluoro-4-methylphenyl)sulfonyl-5-methylbenzohydrazide.
What is the SMILES notation for 3-ethoxy-N'-(2-fluoro-4-methylphenyl)sulfonyl-5-methylbenzohydrazide?
The canonical SMILES for 3-ethoxy-N'-(2-fluoro-4-methylphenyl)sulfonyl-5-methylbenzohydrazide is CCOc1cc(C)cc(C(=O)NNS(=O)(=O)c2ccc(C)cc2F)c1.
What is the InChIKey of 3-ethoxy-N'-(2-fluoro-4-methylphenyl)sulfonyl-5-methylbenzohydrazide?
The InChIKey is VHRATIBEBBHSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-4-24-14-8-12(3)7-13(10-14)17(21)19-20-25(22,23)16-6-5-11(2)9-15(16)18/h5-10,20H,4H2,1-3H3,(H,19,21).
What are the key properties of 3-ethoxy-N'-(2-fluoro-4-methylphenyl)sulfonyl-5-methylbenzohydrazide?
3-ethoxy-N'-(2-fluoro-4-methylphenyl)sulfonyl-5-methylbenzohydrazide has a molecular weight of 366.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N'-(2-fluoro-4-methylphenyl)sulfonyl-5-methylbenzohydrazide is sourced from PubChem (CID 155511214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).