N'-(benzenesulfonyl)-5-(ethoxymethyl)-2-fluoro-3-methylbenzohydrazide

C17H19FN2O4S — CID 155555983

IUPACN'-(benzenesulfonyl)-5-(ethoxymethyl)-2-fluoro-3-methylbenzohydrazide
SMILESCCOCc1cc(C)c(F)c(C(=O)NNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H19FN2O4S/c1-3-24-11-13-9-12(2)16(18)15(10-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-10,20H,3,11H2,1-2H3,(H,19,21)
InChIKeySMOWDHHBGOYEOK-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.29
Rot. Bonds7

About N'-(benzenesulfonyl)-5-(ethoxymethyl)-2-fluoro-3-methylbenzohydrazide

N'-(benzenesulfonyl)-5-(ethoxymethyl)-2-fluoro-3-methylbenzohydrazide (PubChem CID 155555983) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-5-(ethoxymethyl)-2-fluoro-3-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-5-(ethoxymethyl)-2-fluoro-3-methylbenzohydrazide
PubChem CID155555983
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC NameN'-(benzenesulfonyl)-5-(ethoxymethyl)-2-fluoro-3-methylbenzohydrazide
SMILESCCOCc1cc(C)c(F)c(C(=O)NNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H19FN2O4S/c1-3-24-11-13-9-12(2)16(18)15(10-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-10,20H,3,11H2,1-2H3,(H,19,21)
InChIKeySMOWDHHBGOYEOK-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 N'-(benzenesulfonyl)-5-(ethoxymethyl)-2-fluoro-3-methylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-5-(ethoxymethyl)-2-fluoro-3-methylbenzohydrazide (CID 155555983) is N'-(benzenesulfonyl)-5-(ethoxymethyl)-2-fluoro-3-methylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-5-(ethoxymethyl)-2-fluoro-3-methylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-5-(ethoxymethyl)-2-fluoro-3-methylbenzohydrazide is CCOCc1cc(C)c(F)c(C(=O)NNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N'-(benzenesulfonyl)-5-(ethoxymethyl)-2-fluoro-3-methylbenzohydrazide?
The InChIKey is SMOWDHHBGOYEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-3-24-11-13-9-12(2)16(18)15(10-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-10,20H,3,11H2,1-2H3,(H,19,21).
What are the key properties of N'-(benzenesulfonyl)-5-(ethoxymethyl)-2-fluoro-3-methylbenzohydrazide?
N'-(benzenesulfonyl)-5-(ethoxymethyl)-2-fluoro-3-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 N'-(benzenesulfonyl)-5-(ethoxymethyl)-2-fluoro-3-methylbenzohydrazide is sourced from PubChem (CID 155555983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).