3-(4-fluorophenyl)-N'-(4-methylphenyl)sulfonylimidazole-4-carbohydrazide

C17H15FN4O3S — CID 17417511

IUPAC3-(4-fluorophenyl)-N'-(4-methylphenyl)sulfonylimidazole-4-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN4O3S/c1-12-2-8-15(9-3-12)26(24,25)21-20-17(23)16-10-19-11-22(16)14-6-4-13(18)5-7-14/h2-11,21H,1H3,(H,20,23)
InChIKeyIBNIJSPNTWORBB-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.94
Rot. Bonds5

About 3-(4-fluorophenyl)-N'-(4-methylphenyl)sulfonylimidazole-4-carbohydrazide

3-(4-fluorophenyl)-N'-(4-methylphenyl)sulfonylimidazole-4-carbohydrazide (PubChem CID 17417511) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N'-(4-methylphenyl)sulfonylimidazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N'-(4-methylphenyl)sulfonylimidazole-4-carbohydrazide
PubChem CID17417511
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC Name3-(4-fluorophenyl)-N'-(4-methylphenyl)sulfonylimidazole-4-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN4O3S/c1-12-2-8-15(9-3-12)26(24,25)21-20-17(23)16-10-19-11-22(16)14-6-4-13(18)5-7-14/h2-11,21H,1H3,(H,20,23)
InChIKeyIBNIJSPNTWORBB-UHFFFAOYSA-N
XLogP1.94
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.94
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-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-sulfamoylbenzamide
CID 155562815
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-phenylimidazole-4-carboxamide
CID 16326606
N'-{[1-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]carbonyl}-2-naphthalenesulfonohydrazide
CID 1488136
4-tert-butyl-N'-[(2-methylimidazo[1,2-a]pyridin-3-yl)carbonyl]benzenesulfonohydrazide
CID 983424
N'-{[1-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]carbonyl}-3-(trifluoromethyl)benzenesulfonohydrazide
CID 1488137
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 16330981
5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylimidazole-4-carboxamide
CID 57399908
N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]-1-methylimidazole-4-carboxamide
CID 52946310
N-[3-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)propyl]-1-methylimidazole-4-carboxamide
CID 52946495
N-{4-[(dimethylamino)sulfonyl]benzyl}-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 56903339
Sdccgsbi-0661562.P001
CID 4788222
N-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 4795332

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N'-(4-methylphenyl)sulfonylimidazole-4-carbohydrazide?
The IUPAC name of 3-(4-fluorophenyl)-N'-(4-methylphenyl)sulfonylimidazole-4-carbohydrazide (CID 17417511) is 3-(4-fluorophenyl)-N'-(4-methylphenyl)sulfonylimidazole-4-carbohydrazide.
What is the SMILES notation for 3-(4-fluorophenyl)-N'-(4-methylphenyl)sulfonylimidazole-4-carbohydrazide?
The canonical SMILES for 3-(4-fluorophenyl)-N'-(4-methylphenyl)sulfonylimidazole-4-carbohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N'-(4-methylphenyl)sulfonylimidazole-4-carbohydrazide?
The InChIKey is IBNIJSPNTWORBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-12-2-8-15(9-3-12)26(24,25)21-20-17(23)16-10-19-11-22(16)14-6-4-13(18)5-7-14/h2-11,21H,1H3,(H,20,23).
What are the key properties of 3-(4-fluorophenyl)-N'-(4-methylphenyl)sulfonylimidazole-4-carbohydrazide?
3-(4-fluorophenyl)-N'-(4-methylphenyl)sulfonylimidazole-4-carbohydrazide has a molecular weight of 374.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N'-(4-methylphenyl)sulfonylimidazole-4-carbohydrazide is sourced from PubChem (CID 17417511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).