5-ethoxy-2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide

C20H19FN2O4S — CID 146014942

IUPAC5-ethoxy-2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide
SMILESCCOc1cc(C)c(F)c(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H19FN2O4S/c1-3-27-16-10-13(2)19(21)18(12-16)20(24)22-23-28(25,26)17-9-8-14-6-4-5-7-15(14)11-17/h4-12,23H,3H2,1-2H3,(H,22,24)
InChIKeyZHPGBCFNKHBCKG-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.31
Rot. Bonds6

About 5-ethoxy-2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide

5-ethoxy-2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide (PubChem CID 146014942) has the molecular formula C20H19FN2O4S and a molecular weight of 402.45 g/mol. Its IUPAC name is 5-ethoxy-2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name5-ethoxy-2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide
PubChem CID146014942
Molecular FormulaC20H19FN2O4S
Molecular Weight402.45 g/mol
Exact Mass402.10
IUPAC Name5-ethoxy-2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide
SMILESCCOc1cc(C)c(F)c(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H19FN2O4S/c1-3-27-16-10-13(2)19(21)18(12-16)20(24)22-23-28(25,26)17-9-8-14-6-4-5-7-15(14)11-17/h4-12,23H,3H2,1-2H3,(H,22,24)
InChIKeyZHPGBCFNKHBCKG-UHFFFAOYSA-N
XLogP3.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.31
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

5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide
CID 124132130
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide
CID 124132195
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide
CID 135298580
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide
CID 135298625
N'-(benzenesulfonyl)-3-propoxybenzohydrazide
CID 124132112
N'-(benzenesulfonyl)-2-fluoro-5-propan-2-yloxybenzohydrazide
CID 124132116
3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methylbenzohydrazide
CID 124132117
N'-(benzenesulfonyl)-2-fluoro-5-prop-2-enoxybenzohydrazide
CID 124132119
3-ethoxy-5-fluoro-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 124132125
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-prop-2-enoxybenzohydrazide
CID 124132126
N'-(benzenesulfonyl)-5-ethoxy-2-fluorobenzohydrazide
CID 124132131
N'-(2-fluorophenyl)sulfonyl-3-methyl-5-propan-2-yloxybenzohydrazide
CID 124132132

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide?
The IUPAC name of 5-ethoxy-2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide (CID 146014942) is 5-ethoxy-2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide.
What is the SMILES notation for 5-ethoxy-2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide?
The canonical SMILES for 5-ethoxy-2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide is CCOc1cc(C)c(F)c(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of 5-ethoxy-2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide?
The InChIKey is ZHPGBCFNKHBCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4S/c1-3-27-16-10-13(2)19(21)18(12-16)20(24)22-23-28(25,26)17-9-8-14-6-4-5-7-15(14)11-17/h4-12,23H,3H2,1-2H3,(H,22,24).
What are the key properties of 5-ethoxy-2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide?
5-ethoxy-2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide has a molecular weight of 402.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide is sourced from PubChem (CID 146014942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).