3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methoxybenzohydrazide

C16H17FN2O5S — CID 135298611

IUPAC3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methoxybenzohydrazide
SMILESCCOc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C16H17FN2O5S/c1-3-24-13-9-11(8-12(10-13)23-2)16(20)18-19-25(21,22)15-7-5-4-6-14(15)17/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKeyLMTBKXLCGOPLTE-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.86
Rot. Bonds7

About 3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methoxybenzohydrazide

3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methoxybenzohydrazide (PubChem CID 135298611) has the molecular formula C16H17FN2O5S and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methoxybenzohydrazide.

Molecular Properties

Compound Name3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methoxybenzohydrazide
PubChem CID135298611
Molecular FormulaC16H17FN2O5S
Molecular Weight368.39 g/mol
Exact Mass368.08
IUPAC Name3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methoxybenzohydrazide
SMILESCCOc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C16H17FN2O5S/c1-3-24-13-9-11(8-12(10-13)23-2)16(20)18-19-25(21,22)15-7-5-4-6-14(15)17/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKeyLMTBKXLCGOPLTE-UHFFFAOYSA-N
XLogP1.86
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
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 3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methoxybenzohydrazide?
The IUPAC name of 3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methoxybenzohydrazide (CID 135298611) is 3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methoxybenzohydrazide.
What is the SMILES notation for 3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methoxybenzohydrazide?
The canonical SMILES for 3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methoxybenzohydrazide is CCOc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccccc2F)c1.
What is the InChIKey of 3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methoxybenzohydrazide?
The InChIKey is LMTBKXLCGOPLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O5S/c1-3-24-13-9-11(8-12(10-13)23-2)16(20)18-19-25(21,22)15-7-5-4-6-14(15)17/h4-10,19H,3H2,1-2H3,(H,18,20).
What are the key properties of 3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methoxybenzohydrazide?
3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methoxybenzohydrazide has a molecular weight of 368.39 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methoxybenzohydrazide is sourced from PubChem (CID 135298611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).