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

C17H15FN4O4S — CID 17419714

IUPAC3-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylimidazole-4-carbohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN4O4S/c1-26-14-6-8-15(9-7-14)27(24,25)21-20-17(23)16-10-19-11-22(16)13-4-2-12(18)3-5-13/h2-11,21H,1H3,(H,20,23)
InChIKeyYSDHAABBNGBRED-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.64
Rot. Bonds6

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

3-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylimidazole-4-carbohydrazide (PubChem CID 17419714) has the molecular formula C17H15FN4O4S and a molecular weight of 390.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylimidazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylimidazole-4-carbohydrazide
PubChem CID17419714
Molecular FormulaC17H15FN4O4S
Molecular Weight390.40 g/mol
Exact Mass390.08
IUPAC Name3-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylimidazole-4-carbohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN4O4S/c1-26-14-6-8-15(9-7-14)27(24,25)21-20-17(23)16-10-19-11-22(16)13-4-2-12(18)3-5-13/h2-11,21H,1H3,(H,20,23)
InChIKeyYSDHAABBNGBRED-UHFFFAOYSA-N
XLogP1.64
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylimidazole-4-carbohydrazide?
The IUPAC name of 3-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylimidazole-4-carbohydrazide (CID 17419714) is 3-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylimidazole-4-carbohydrazide.
What is the SMILES notation for 3-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylimidazole-4-carbohydrazide?
The canonical SMILES for 3-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylimidazole-4-carbohydrazide is COc1ccc(S(=O)(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylimidazole-4-carbohydrazide?
The InChIKey is YSDHAABBNGBRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O4S/c1-26-14-6-8-15(9-7-14)27(24,25)21-20-17(23)16-10-19-11-22(16)13-4-2-12(18)3-5-13/h2-11,21H,1H3,(H,20,23).
What are the key properties of 3-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylimidazole-4-carbohydrazide?
3-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylimidazole-4-carbohydrazide has a molecular weight of 390.40 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 3-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylimidazole-4-carbohydrazide is sourced from PubChem (CID 17419714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).