N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide

C17H19FN2O5S — CID 135298667

IUPACN'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide
SMILESCOc1cc(OC(C)C)cc(C(=O)NNS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C17H19FN2O5S/c1-11(2)25-14-9-12(8-13(10-14)24-3)17(21)19-20-26(22,23)16-7-5-4-6-15(16)18/h4-11,20H,1-3H3,(H,19,21)
InChIKeyYNTZZIQZRUVKNU-UHFFFAOYSA-N
MW382.41 g/mol
LogP2.24
Rot. Bonds7

About N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide

N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide (PubChem CID 135298667) has the molecular formula C17H19FN2O5S and a molecular weight of 382.41 g/mol. Its IUPAC name is N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide
PubChem CID135298667
Molecular FormulaC17H19FN2O5S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC NameN'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide
SMILESCOc1cc(OC(C)C)cc(C(=O)NNS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C17H19FN2O5S/c1-11(2)25-14-9-12(8-13(10-14)24-3)17(21)19-20-26(22,23)16-7-5-4-6-15(16)18/h4-11,20H,1-3H3,(H,19,21)
InChIKeyYNTZZIQZRUVKNU-UHFFFAOYSA-N
XLogP2.24
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 52.24
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'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide
CID 135298631
N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide
CID 8617549
2-fluoro-N-[(2S)-1-oxo-1-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propan-2-yl]benzenesulfonamide
CID 24539255
3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 135298630
N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide
CID 17394762
3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide
CID 8515948
N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-ynamide
CID 176885216
N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-enamide
CID 176885204
3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 155532167
N'-(2-bromophenyl)sulfonyl-4-methoxybenzohydrazide
CID 8615398
3,5-dimethoxy-N'-[3-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
CID 24662326
methyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate
CID 8615357

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide (CID 135298667) is N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide is COc1cc(OC(C)C)cc(C(=O)NNS(=O)(=O)c2ccccc2F)c1.
What is the InChIKey of N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide?
The InChIKey is YNTZZIQZRUVKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O5S/c1-11(2)25-14-9-12(8-13(10-14)24-3)17(21)19-20-26(22,23)16-7-5-4-6-15(16)18/h4-11,20H,1-3H3,(H,19,21).
What are the key properties of N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide?
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide has a molecular weight of 382.41 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 135298667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).