2-(benzimidazol-1-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide

C16H13F3N4O3S — CID 8823062

IUPAC2-(benzimidazol-1-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide
SMILESO=C(Cn1cnc2ccccc21)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N4O3S/c17-16(18,19)11-5-7-12(8-6-11)27(25,26)22-21-15(24)9-23-10-20-13-3-1-2-4-14(13)23/h1-8,10,22H,9H2,(H,21,24)
InChIKeyWWAKJASVEOHSOA-UHFFFAOYSA-N
MW398.37 g/mol
LogP2.06
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide

2-(benzimidazol-1-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide (PubChem CID 8823062) has the molecular formula C16H13F3N4O3S and a molecular weight of 398.37 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide
PubChem CID8823062
Molecular FormulaC16H13F3N4O3S
Molecular Weight398.37 g/mol
Exact Mass398.07
IUPAC Name2-(benzimidazol-1-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide
SMILESO=C(Cn1cnc2ccccc21)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N4O3S/c17-16(18,19)11-5-7-12(8-6-11)27(25,26)22-21-15(24)9-23-10-20-13-3-1-2-4-14(13)23/h1-8,10,22H,9H2,(H,21,24)
InChIKeyWWAKJASVEOHSOA-UHFFFAOYSA-N
XLogP2.06
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 52.06
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

N-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide
CID 122179031
2-(6-Carbamimidoyl-benzoimidazol-1-yl)-N-(2''-sulfamoyl-biphenyl-4-yl)-acetamide
CID 10813359
2-(5-Carbamimidoyl-benzoimidazol-1-yl)-N-(2''-sulfamoyl-biphenyl-4-yl)-acetamide
CID 18800583
N-[4-[methyl-[2-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide
CID 4672467
2-(benzimidazol-1-yl)-N-[(E)-benzylideneamino]acetamide
CID 6898746
2-(1H-benzimidazol-1-yl)-N'-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]acetohydrazide
CID 6861920
1-[4-(Trifluoromethyl)phenyl]sulfonylbenzimidazole
CID 155548050
Benzimidazole,1-(P-sulfonamido)benzyl
CID 44375749
N-(2-{(E)-[(1-ethyl-1H-benzimidazol-2-yl)imino]methyl}phenyl)-4-methylbenzenesulfonamide
CID 9660538
2-(2-Ethylbenzimidazol-1-yl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 3000085
{1-[2-(Diethylamino)ethyl]benzimidazol-2-yl}[(4-methylphenyl)sulfonyl]amine
CID 4775364
3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-propylbenzimidazol-2-yl)propanamide
CID 16257649

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide?
The IUPAC name of 2-(benzimidazol-1-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide (CID 8823062) is 2-(benzimidazol-1-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide is O=C(Cn1cnc2ccccc21)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide?
The InChIKey is WWAKJASVEOHSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O3S/c17-16(18,19)11-5-7-12(8-6-11)27(25,26)22-21-15(24)9-23-10-20-13-3-1-2-4-14(13)23/h1-8,10,22H,9H2,(H,21,24).
What are the key properties of 2-(benzimidazol-1-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide?
2-(benzimidazol-1-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide has a molecular weight of 398.37 g/mol, XLogP of 2.06, 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-(trifluoromethyl)phenyl]sulfonylacetohydrazide is sourced from PubChem (CID 8823062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).