3-(3,5-dimethylpyrazol-1-yl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide

C18H17FN4O3S — CID 135298781

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide
SMILESCc1cc(C)n(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3F)c2)n1
InChIInChI=1S/C18H17FN4O3S/c1-12-10-13(2)23(21-12)15-7-5-6-14(11-15)18(24)20-22-27(25,26)17-9-4-3-8-16(17)19/h3-11,22H,1-2H3,(H,20,24)
InChIKeyKXLOFNVLNYRBLP-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.25
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide

3-(3,5-dimethylpyrazol-1-yl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide (PubChem CID 135298781) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide
PubChem CID135298781
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide
SMILESCc1cc(C)n(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3F)c2)n1
InChIInChI=1S/C18H17FN4O3S/c1-12-10-13(2)23(21-12)15-7-5-6-14(11-15)18(24)20-22-27(25,26)17-9-4-3-8-16(17)19/h3-11,22H,1-2H3,(H,20,24)
InChIKeyKXLOFNVLNYRBLP-UHFFFAOYSA-N
XLogP2.25
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.25
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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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide (CID 135298781) is 3-(3,5-dimethylpyrazol-1-yl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide is Cc1cc(C)n(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3F)c2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide?
The InChIKey is KXLOFNVLNYRBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c1-12-10-13(2)23(21-12)15-7-5-6-14(11-15)18(24)20-22-27(25,26)17-9-4-3-8-16(17)19/h3-11,22H,1-2H3,(H,20,24).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide?
3-(3,5-dimethylpyrazol-1-yl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide has a molecular weight of 388.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 135298781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).