N'-(4-fluorophenyl)sulfonyl-2-methoxybenzohydrazide

C14H13FN2O4S — CID 809441

IUPACN'-(4-fluorophenyl)sulfonyl-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O4S/c1-21-13-5-3-2-4-12(13)14(18)16-17-22(19,20)11-8-6-10(15)7-9-11/h2-9,17H,1H3,(H,16,18)
InChIKeyKFXJXTMIQWDOBY-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.46
Rot. Bonds5

About N'-(4-fluorophenyl)sulfonyl-2-methoxybenzohydrazide

N'-(4-fluorophenyl)sulfonyl-2-methoxybenzohydrazide (PubChem CID 809441) has the molecular formula C14H13FN2O4S and a molecular weight of 324.33 g/mol. Its IUPAC name is N'-(4-fluorophenyl)sulfonyl-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)sulfonyl-2-methoxybenzohydrazide
PubChem CID809441
Molecular FormulaC14H13FN2O4S
Molecular Weight324.33 g/mol
Exact Mass324.06
IUPAC NameN'-(4-fluorophenyl)sulfonyl-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O4S/c1-21-13-5-3-2-4-12(13)14(18)16-17-22(19,20)11-8-6-10(15)7-9-11/h2-9,17H,1H3,(H,16,18)
InChIKeyKFXJXTMIQWDOBY-UHFFFAOYSA-N
XLogP1.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)sulfonyl-2-methoxybenzohydrazide?
The IUPAC name of N'-(4-fluorophenyl)sulfonyl-2-methoxybenzohydrazide (CID 809441) is N'-(4-fluorophenyl)sulfonyl-2-methoxybenzohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)sulfonyl-2-methoxybenzohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)sulfonyl-2-methoxybenzohydrazide is COc1ccccc1C(=O)NNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)sulfonyl-2-methoxybenzohydrazide?
The InChIKey is KFXJXTMIQWDOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4S/c1-21-13-5-3-2-4-12(13)14(18)16-17-22(19,20)11-8-6-10(15)7-9-11/h2-9,17H,1H3,(H,16,18).
What are the key properties of N'-(4-fluorophenyl)sulfonyl-2-methoxybenzohydrazide?
N'-(4-fluorophenyl)sulfonyl-2-methoxybenzohydrazide has a molecular weight of 324.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)sulfonyl-2-methoxybenzohydrazide is sourced from PubChem (CID 809441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).