N'-(benzenesulfonyl)-5-ethenoxy-2-fluorobenzohydrazide

C15H13FN2O4S — CID 155926751

IUPACN'-(benzenesulfonyl)-5-ethenoxy-2-fluorobenzohydrazide
SMILESC=COc1ccc(F)c(C(=O)NNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H13FN2O4S/c1-2-22-11-8-9-14(16)13(10-11)15(19)17-18-23(20,21)12-6-4-3-5-7-12/h2-10,18H,1H2,(H,17,19)
InChIKeyPZHVMTBGZZATCI-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.97
Rot. Bonds6

About N'-(benzenesulfonyl)-5-ethenoxy-2-fluorobenzohydrazide

N'-(benzenesulfonyl)-5-ethenoxy-2-fluorobenzohydrazide (PubChem CID 155926751) has the molecular formula C15H13FN2O4S and a molecular weight of 336.34 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-5-ethenoxy-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-5-ethenoxy-2-fluorobenzohydrazide
PubChem CID155926751
Molecular FormulaC15H13FN2O4S
Molecular Weight336.34 g/mol
Exact Mass336.06
IUPAC NameN'-(benzenesulfonyl)-5-ethenoxy-2-fluorobenzohydrazide
SMILESC=COc1ccc(F)c(C(=O)NNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H13FN2O4S/c1-2-22-11-8-9-14(16)13(10-11)15(19)17-18-23(20,21)12-6-4-3-5-7-12/h2-10,18H,1H2,(H,17,19)
InChIKeyPZHVMTBGZZATCI-UHFFFAOYSA-N
XLogP1.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 8523928
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N'-(benzenesulfonyl)-4-methoxybenzohydrazide
CID 795528
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide
CID 54112488
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2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 155926750
N'-(benzenesulfonyl)-2-fluoro-6-phenylbenzohydrazide
CID 134581170
2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 8523938
2-amino-N'-(benzenesulfonyl)pyridine-3-carbohydrazide
CID 56689453
2-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenoxy]acetic acid
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N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-5-ethenoxy-2-fluorobenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-5-ethenoxy-2-fluorobenzohydrazide (CID 155926751) is N'-(benzenesulfonyl)-5-ethenoxy-2-fluorobenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-5-ethenoxy-2-fluorobenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-5-ethenoxy-2-fluorobenzohydrazide is C=COc1ccc(F)c(C(=O)NNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N'-(benzenesulfonyl)-5-ethenoxy-2-fluorobenzohydrazide?
The InChIKey is PZHVMTBGZZATCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4S/c1-2-22-11-8-9-14(16)13(10-11)15(19)17-18-23(20,21)12-6-4-3-5-7-12/h2-10,18H,1H2,(H,17,19).
What are the key properties of N'-(benzenesulfonyl)-5-ethenoxy-2-fluorobenzohydrazide?
N'-(benzenesulfonyl)-5-ethenoxy-2-fluorobenzohydrazide has a molecular weight of 336.34 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-5-ethenoxy-2-fluorobenzohydrazide is sourced from PubChem (CID 155926751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).