2-(1H-benzimidazol-2-ylsulfanyl)-N'-(3-fluorophenyl)sulfonylacetohydrazide

C15H13FN4O3S2 — CID 8505393

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N'-(3-fluorophenyl)sulfonylacetohydrazide
SMILESO=C(CSc1nc2ccccc2[nH]1)NNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H13FN4O3S2/c16-10-4-3-5-11(8-10)25(22,23)20-19-14(21)9-24-15-17-12-6-1-2-7-13(12)18-15/h1-8,20H,9H2,(H,17,18)(H,19,21)
InChIKeyLXRPDGFOCZIBMB-UHFFFAOYSA-N
MW380.43 g/mol
LogP1.80
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanyl)-N'-(3-fluorophenyl)sulfonylacetohydrazide

2-(1H-benzimidazol-2-ylsulfanyl)-N'-(3-fluorophenyl)sulfonylacetohydrazide (PubChem CID 8505393) has the molecular formula C15H13FN4O3S2 and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N'-(3-fluorophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N'-(3-fluorophenyl)sulfonylacetohydrazide
PubChem CID8505393
Molecular FormulaC15H13FN4O3S2
Molecular Weight380.43 g/mol
Exact Mass380.04
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N'-(3-fluorophenyl)sulfonylacetohydrazide
SMILESO=C(CSc1nc2ccccc2[nH]1)NNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H13FN4O3S2/c16-10-4-3-5-11(8-10)25(22,23)20-19-14(21)9-24-15-17-12-6-1-2-7-13(12)18-15/h1-8,20H,9H2,(H,17,18)(H,19,21)
InChIKeyLXRPDGFOCZIBMB-UHFFFAOYSA-N
XLogP1.80
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 51.80
H-Bond Donors ≤ 53
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-(1H-benzimidazol-2-ylsulfanyl)-N'-(4-tert-butylphenyl)sulfonylacetohydrazide
CID 8505426
2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide
CID 5187301
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide
CID 39758056
1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea
CID 4653741
N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 21008859
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 41037855
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 41037856
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4809633
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone
CID 43218350
N'-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]pyridine-4-carbohydrazide
CID 4690916
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide
CID 18838038
3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoyl chloride
CID 135393737

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N'-(3-fluorophenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N'-(3-fluorophenyl)sulfonylacetohydrazide (CID 8505393) is 2-(1H-benzimidazol-2-ylsulfanyl)-N'-(3-fluorophenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N'-(3-fluorophenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N'-(3-fluorophenyl)sulfonylacetohydrazide is O=C(CSc1nc2ccccc2[nH]1)NNS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N'-(3-fluorophenyl)sulfonylacetohydrazide?
The InChIKey is LXRPDGFOCZIBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O3S2/c16-10-4-3-5-11(8-10)25(22,23)20-19-14(21)9-24-15-17-12-6-1-2-7-13(12)18-15/h1-8,20H,9H2,(H,17,18)(H,19,21).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N'-(3-fluorophenyl)sulfonylacetohydrazide?
2-(1H-benzimidazol-2-ylsulfanyl)-N'-(3-fluorophenyl)sulfonylacetohydrazide has a molecular weight of 380.43 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N'-(3-fluorophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 8505393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).