5-fluoro-3-methyl-N'-(4-methylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide

C18H15FN2O5S — CID 34966522

IUPAC5-fluoro-3-methyl-N'-(4-methylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)oc2ccc(F)cc12
InChIInChI=1S/C18H15FN2O5S/c1-10-14-9-12(19)5-8-15(14)26-16(10)18(23)21-20-17(22)11-3-6-13(7-4-11)27(2,24)25/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyLIYMUBGYIXGBLS-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.36
Rot. Bonds3

About 5-fluoro-3-methyl-N'-(4-methylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide

5-fluoro-3-methyl-N'-(4-methylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide (PubChem CID 34966522) has the molecular formula C18H15FN2O5S and a molecular weight of 390.39 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N'-(4-methylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N'-(4-methylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide
PubChem CID34966522
Molecular FormulaC18H15FN2O5S
Molecular Weight390.39 g/mol
Exact Mass390.07
IUPAC Name5-fluoro-3-methyl-N'-(4-methylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)oc2ccc(F)cc12
InChIInChI=1S/C18H15FN2O5S/c1-10-14-9-12(19)5-8-15(14)26-16(10)18(23)21-20-17(22)11-3-6-13(7-4-11)27(2,24)25/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyLIYMUBGYIXGBLS-UHFFFAOYSA-N
XLogP2.36
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.36
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'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 7732767
5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide
CID 17441780
5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 9080530
5-methoxy-3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 8913378
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid
CID 60708400
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606798
(3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723127
N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18169026
N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 65112503
5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 9344621
5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79675667
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N'-(4-methylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide?
The IUPAC name of 5-fluoro-3-methyl-N'-(4-methylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide (CID 34966522) is 5-fluoro-3-methyl-N'-(4-methylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 5-fluoro-3-methyl-N'-(4-methylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 5-fluoro-3-methyl-N'-(4-methylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)oc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-N'-(4-methylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide?
The InChIKey is LIYMUBGYIXGBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O5S/c1-10-14-9-12(19)5-8-15(14)26-16(10)18(23)21-20-17(22)11-3-6-13(7-4-11)27(2,24)25/h3-9H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 5-fluoro-3-methyl-N'-(4-methylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide?
5-fluoro-3-methyl-N'-(4-methylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide has a molecular weight of 390.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N'-(4-methylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 34966522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).