N'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide

C19H17FN4O4S — CID 9418557

IUPACN'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NNC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O4S/c20-14-6-8-15(9-7-14)24-13-21-12-17(24)19(26)23-22-18(25)10-11-29(27,28)16-4-2-1-3-5-16/h1-9,12-13H,10-11H2,(H,22,25)(H,23,26)
InChIKeyORQUSUQTPJXEBC-UHFFFAOYSA-N
MW416.43 g/mol
LogP1.64
Rot. Bonds6

About N'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide

N'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide (PubChem CID 9418557) has the molecular formula C19H17FN4O4S and a molecular weight of 416.43 g/mol. Its IUPAC name is N'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
PubChem CID9418557
Molecular FormulaC19H17FN4O4S
Molecular Weight416.43 g/mol
Exact Mass416.10
IUPAC NameN'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NNC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O4S/c20-14-6-8-15(9-7-14)24-13-21-12-17(24)19(26)23-22-18(25)10-11-29(27,28)16-4-2-1-3-5-16/h1-9,12-13H,10-11H2,(H,22,25)(H,23,26)
InChIKeyORQUSUQTPJXEBC-UHFFFAOYSA-N
XLogP1.64
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide
CID 17474621
N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418556
3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide
CID 40591024
3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide
CID 4795823
N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 25437345
3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 5092120
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9158171
3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide
CID 9418541
ethyl N-[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]carbamate
CID 43002854
N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 21175320
N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 11941116
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide
CID 30969685

Frequently Asked Questions

What is the IUPAC name of N'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The IUPAC name of N'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide (CID 9418557) is N'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide.
What is the SMILES notation for N'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The canonical SMILES for N'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide is O=C(CCS(=O)(=O)c1ccccc1)NNC(=O)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of N'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The InChIKey is ORQUSUQTPJXEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4S/c20-14-6-8-15(9-7-14)24-13-21-12-17(24)19(26)23-22-18(25)10-11-29(27,28)16-4-2-1-3-5-16/h1-9,12-13H,10-11H2,(H,22,25)(H,23,26).
What are the key properties of N'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
N'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide has a molecular weight of 416.43 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide is sourced from PubChem (CID 9418557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).