3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide

C11H17FN4O3S — CID 114175770

IUPAC3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide
SMILESCS(=O)(=O)NCCCNC(=O)c1cccc(F)c1NN
InChIInChI=1S/C11H17FN4O3S/c1-20(18,19)15-7-3-6-14-11(17)8-4-2-5-9(12)10(8)16-13/h2,4-5,15-16H,3,6-7,13H2,1H3,(H,14,17)
InChIKeyFYBPKWOKLPTNMG-UHFFFAOYSA-N
MW304.35 g/mol
LogP-0.22
Rot. Bonds7

About 3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide

3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide (PubChem CID 114175770) has the molecular formula C11H17FN4O3S and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide
PubChem CID114175770
Molecular FormulaC11H17FN4O3S
Molecular Weight304.35 g/mol
Exact Mass304.10
IUPAC Name3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide
SMILESCS(=O)(=O)NCCCNC(=O)c1cccc(F)c1NN
InChIInChI=1S/C11H17FN4O3S/c1-20(18,19)15-7-3-6-14-11(17)8-4-2-5-9(12)10(8)16-13/h2,4-5,15-16H,3,6-7,13H2,1H3,(H,14,17)
InChIKeyFYBPKWOKLPTNMG-UHFFFAOYSA-N
XLogP-0.22
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide
CID 106547809
3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106040313
3-fluoro-N-[2-(methanesulfonamido)ethyl]-2-(propylamino)benzamide
CID 62662394
N-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide
CID 83114769
3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62660803
N-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide
CID 103706674
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
2-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]benzamide
CID 106342056
3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79865248
2,3-difluoro-N-(2-methylsulfonylethyl)benzamide
CID 62650533
N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide
CID 62661139

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide (CID 114175770) is 3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide is CS(=O)(=O)NCCCNC(=O)c1cccc(F)c1NN.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide?
The InChIKey is FYBPKWOKLPTNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O3S/c1-20(18,19)15-7-3-6-14-11(17)8-4-2-5-9(12)10(8)16-13/h2,4-5,15-16H,3,6-7,13H2,1H3,(H,14,17).
What are the key properties of 3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide?
3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide has a molecular weight of 304.35 g/mol, XLogP of -0.22, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide is sourced from PubChem (CID 114175770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).