4-fluoro-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide

C15H12FN3O5S — CID 55558560

IUPAC4-fluoro-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NNC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C15H12FN3O5S/c1-19-12-7-6-11(8-13(12)24-15(19)21)25(22,23)18-17-14(20)9-2-4-10(16)5-3-9/h2-8,18H,1H3,(H,17,20)
InChIKeyZUYUBMCNLMQYTJ-UHFFFAOYSA-N
MW365.34 g/mol
LogP0.89
Rot. Bonds4

About 4-fluoro-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide

4-fluoro-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide (PubChem CID 55558560) has the molecular formula C15H12FN3O5S and a molecular weight of 365.34 g/mol. Its IUPAC name is 4-fluoro-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide
PubChem CID55558560
Molecular FormulaC15H12FN3O5S
Molecular Weight365.34 g/mol
Exact Mass365.05
IUPAC Name4-fluoro-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NNC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C15H12FN3O5S/c1-19-12-7-6-11(8-13(12)24-15(19)21)25(22,23)18-17-14(20)9-2-4-10(16)5-3-9/h2-8,18H,1H3,(H,17,20)
InChIKeyZUYUBMCNLMQYTJ-UHFFFAOYSA-N
XLogP0.89
TPSA110.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 50.89
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

3,4,5-triethoxy-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide
CID 30782171
2-methyl-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanehydrazide
CID 30713545
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766557
N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 30782322
N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713207
N-[1-(2,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55558604
N-(2,3-dihydroxypropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 66176261
4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid
CID 110779478
N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713117
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]oxyacetamide
CID 113358305
3-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 110347522
3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide
CID 116843326

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide (CID 55558560) is 4-fluoro-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide is Cn1c(=O)oc2cc(S(=O)(=O)NNC(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of 4-fluoro-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide?
The InChIKey is ZUYUBMCNLMQYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O5S/c1-19-12-7-6-11(8-13(12)24-15(19)21)25(22,23)18-17-14(20)9-2-4-10(16)5-3-9/h2-8,18H,1H3,(H,17,20).
What are the key properties of 4-fluoro-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide?
4-fluoro-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide has a molecular weight of 365.34 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide is sourced from PubChem (CID 55558560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).