N'-(benzenesulfonyl)-2-fluoro-3-methylbenzohydrazide

C14H13FN2O3S — CID 134581445

IUPACN'-(benzenesulfonyl)-2-fluoro-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C14H13FN2O3S/c1-10-6-5-9-12(13(10)15)14(18)16-17-21(19,20)11-7-3-2-4-8-11/h2-9,17H,1H3,(H,16,18)
InChIKeyMYZWCXLTINAPJU-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.76
Rot. Bonds4

About N'-(benzenesulfonyl)-2-fluoro-3-methylbenzohydrazide

N'-(benzenesulfonyl)-2-fluoro-3-methylbenzohydrazide (PubChem CID 134581445) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-fluoro-3-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-fluoro-3-methylbenzohydrazide
PubChem CID134581445
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC NameN'-(benzenesulfonyl)-2-fluoro-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C14H13FN2O3S/c1-10-6-5-9-12(13(10)15)14(18)16-17-21(19,20)11-7-3-2-4-8-11/h2-9,17H,1H3,(H,16,18)
InChIKeyMYZWCXLTINAPJU-UHFFFAOYSA-N
XLogP1.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(benzenesulfonyl)-2-fluoro-3-methylbenzohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2-fluoro-3-methylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-fluoro-3-methylbenzohydrazide (CID 134581445) is N'-(benzenesulfonyl)-2-fluoro-3-methylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-fluoro-3-methylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-fluoro-3-methylbenzohydrazide is Cc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1F.
What is the InChIKey of N'-(benzenesulfonyl)-2-fluoro-3-methylbenzohydrazide?
The InChIKey is MYZWCXLTINAPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-10-6-5-9-12(13(10)15)14(18)16-17-21(19,20)11-7-3-2-4-8-11/h2-9,17H,1H3,(H,16,18).
What are the key properties of N'-(benzenesulfonyl)-2-fluoro-3-methylbenzohydrazide?
N'-(benzenesulfonyl)-2-fluoro-3-methylbenzohydrazide has a molecular weight of 308.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2-fluoro-3-methylbenzohydrazide is sourced from PubChem (CID 134581445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).