N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide

C17H17FN2O5S — CID 43003714

IUPACN'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H17FN2O5S/c1-11(25-15-6-4-3-5-14(15)18)16(21)19-20-17(22)12-7-9-13(10-8-12)26(2,23)24/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyYVSPZVHZFNXCOA-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.46
Rot. Bonds5

About N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide

N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide (PubChem CID 43003714) has the molecular formula C17H17FN2O5S and a molecular weight of 380.40 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide
PubChem CID43003714
Molecular FormulaC17H17FN2O5S
Molecular Weight380.40 g/mol
Exact Mass380.08
IUPAC NameN'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H17FN2O5S/c1-11(25-15-6-4-3-5-14(15)18)16(21)19-20-17(22)12-7-9-13(10-8-12)26(2,23)24/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyYVSPZVHZFNXCOA-UHFFFAOYSA-N
XLogP1.46
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 7761024
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640633
N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640641
N'-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide
CID 46453867
4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7760973
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]naphthalene-2-carbohydrazide
CID 7760964
N'-[2-(2-fluorophenoxy)propanoyl]-3,5-bis(trifluoromethyl)benzohydrazide
CID 43003740
N'-[2-(2-fluorophenoxy)propanoyl]-3-(methylsulfonylmethyl)benzohydrazide
CID 55388470
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide
CID 7927420
N'-[2-(2-fluorophenoxy)propanoyl]-2-nitrobenzohydrazide
CID 43003717
3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7927406

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide (CID 43003714) is N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide is CC(Oc1ccccc1F)C(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide?
The InChIKey is YVSPZVHZFNXCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5S/c1-11(25-15-6-4-3-5-14(15)18)16(21)19-20-17(22)12-7-9-13(10-8-12)26(2,23)24/h3-11H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide?
N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide has a molecular weight of 380.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide is sourced from PubChem (CID 43003714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).