2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide

C15H13FN4O3S — CID 8823013

IUPAC2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide
SMILESO=C(Cn1cnc2ccccc21)NNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H13FN4O3S/c16-11-5-7-12(8-6-11)24(22,23)19-18-15(21)9-20-10-17-13-3-1-2-4-14(13)20/h1-8,10,19H,9H2,(H,18,21)
InChIKeyCFPQQCQVWMDJJE-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.19
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide

2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide (PubChem CID 8823013) has the molecular formula C15H13FN4O3S and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide
PubChem CID8823013
Molecular FormulaC15H13FN4O3S
Molecular Weight348.36 g/mol
Exact Mass348.07
IUPAC Name2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide
SMILESO=C(Cn1cnc2ccccc21)NNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H13FN4O3S/c16-11-5-7-12(8-6-11)24(22,23)19-18-15(21)9-20-10-17-13-3-1-2-4-14(13)20/h1-8,10,19H,9H2,(H,18,21)
InChIKeyCFPQQCQVWMDJJE-UHFFFAOYSA-N
XLogP1.19
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(benzimidazol-1-yl)-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide
CID 8823029
ethyl 4-[[[2-(benzimidazol-1-yl)acetyl]amino]sulfamoyl]benzoate
CID 8823036
2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
CID 8823056
methyl 3-[[[2-(benzimidazol-1-yl)acetyl]amino]methyl]-5-[(4-fluorophenyl)sulfonylamino]benzoate
CID 42431934
N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 55407936
N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17419797
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55795647
2-(benzimidazol-1-yl)-N'-(6-fluoro-2H-thiochromen-4-yl)acetohydrazide
CID 7042834
N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47929228
[(4-fluorophenyl)sulfonylamino]urea
CID 140574528
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide (CID 8823013) is 2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide is O=C(Cn1cnc2ccccc21)NNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide?
The InChIKey is CFPQQCQVWMDJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O3S/c16-11-5-7-12(8-6-11)24(22,23)19-18-15(21)9-20-10-17-13-3-1-2-4-14(13)20/h1-8,10,19H,9H2,(H,18,21).
What are the key properties of 2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide?
2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide has a molecular weight of 348.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 8823013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).