3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide

C10H14F2N4O3S — CID 106340860

IUPAC3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide
SMILESCNS(=O)(=O)CCNC(=O)c1cc(F)c(NN)c(F)c1
InChIInChI=1S/C10H14F2N4O3S/c1-14-20(18,19)3-2-15-10(17)6-4-7(11)9(16-13)8(12)5-6/h4-5,14,16H,2-3,13H2,1H3,(H,15,17)
InChIKeyHOSDNAXBWXEKCP-UHFFFAOYSA-N
MW308.31 g/mol
LogP-0.47
Rot. Bonds6

About 3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide

3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide (PubChem CID 106340860) has the molecular formula C10H14F2N4O3S and a molecular weight of 308.31 g/mol. Its IUPAC name is 3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide
PubChem CID106340860
Molecular FormulaC10H14F2N4O3S
Molecular Weight308.31 g/mol
Exact Mass308.08
IUPAC Name3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide
SMILESCNS(=O)(=O)CCNC(=O)c1cc(F)c(NN)c(F)c1
InChIInChI=1S/C10H14F2N4O3S/c1-14-20(18,19)3-2-15-10(17)6-4-7(11)9(16-13)8(12)5-6/h4-5,14,16H,2-3,13H2,1H3,(H,15,17)
InChIKeyHOSDNAXBWXEKCP-UHFFFAOYSA-N
XLogP-0.47
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106340868
3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide
CID 63183539
N-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186049
3,5-dimethoxy-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 7619022
4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106332797
N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186654
4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341777
N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide
CID 114175650
3,5-difluoro-4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 63185740
3,5-difluoro-4-hydrazinyl-N-(2-pyridin-4-ylethyl)benzamide
CID 63186092
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 102685105
2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide
CID 114175102

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide?
The IUPAC name of 3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide (CID 106340860) is 3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide is CNS(=O)(=O)CCNC(=O)c1cc(F)c(NN)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide?
The InChIKey is HOSDNAXBWXEKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O3S/c1-14-20(18,19)3-2-15-10(17)6-4-7(11)9(16-13)8(12)5-6/h4-5,14,16H,2-3,13H2,1H3,(H,15,17).
What are the key properties of 3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide?
3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide has a molecular weight of 308.31 g/mol, XLogP of -0.47, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 106340860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).