5-fluoro-N-(2-oxochromen-6-yl)-1-phenylpyrazole-4-sulfonamide

C18H12FN3O4S — CID 166397251

IUPAC5-fluoro-N-(2-oxochromen-6-yl)-1-phenylpyrazole-4-sulfonamide
SMILESO=c1ccc2cc(NS(=O)(=O)c3cnn(-c4ccccc4)c3F)ccc2o1
InChIInChI=1S/C18H12FN3O4S/c19-18-16(11-20-22(18)14-4-2-1-3-5-14)27(24,25)21-13-7-8-15-12(10-13)6-9-17(23)26-15/h1-11,21H
InChIKeyQSOSGKCEFKOPSQ-UHFFFAOYSA-N
MW385.38 g/mol
LogP2.92
Rot. Bonds4

About 5-fluoro-N-(2-oxochromen-6-yl)-1-phenylpyrazole-4-sulfonamide

5-fluoro-N-(2-oxochromen-6-yl)-1-phenylpyrazole-4-sulfonamide (PubChem CID 166397251) has the molecular formula C18H12FN3O4S and a molecular weight of 385.38 g/mol. Its IUPAC name is 5-fluoro-N-(2-oxochromen-6-yl)-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-(2-oxochromen-6-yl)-1-phenylpyrazole-4-sulfonamide
PubChem CID166397251
Molecular FormulaC18H12FN3O4S
Molecular Weight385.38 g/mol
Exact Mass385.05
IUPAC Name5-fluoro-N-(2-oxochromen-6-yl)-1-phenylpyrazole-4-sulfonamide
SMILESO=c1ccc2cc(NS(=O)(=O)c3cnn(-c4ccccc4)c3F)ccc2o1
InChIInChI=1S/C18H12FN3O4S/c19-18-16(11-20-22(18)14-4-2-1-3-5-14)27(24,25)21-13-7-8-15-12(10-13)6-9-17(23)26-15/h1-11,21H
InChIKeyQSOSGKCEFKOPSQ-UHFFFAOYSA-N
XLogP2.92
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-oxochromen-6-yl)-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of 5-fluoro-N-(2-oxochromen-6-yl)-1-phenylpyrazole-4-sulfonamide (CID 166397251) is 5-fluoro-N-(2-oxochromen-6-yl)-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-fluoro-N-(2-oxochromen-6-yl)-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 5-fluoro-N-(2-oxochromen-6-yl)-1-phenylpyrazole-4-sulfonamide is O=c1ccc2cc(NS(=O)(=O)c3cnn(-c4ccccc4)c3F)ccc2o1.
What is the InChIKey of 5-fluoro-N-(2-oxochromen-6-yl)-1-phenylpyrazole-4-sulfonamide?
The InChIKey is QSOSGKCEFKOPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O4S/c19-18-16(11-20-22(18)14-4-2-1-3-5-14)27(24,25)21-13-7-8-15-12(10-13)6-9-17(23)26-15/h1-11,21H.
What are the key properties of 5-fluoro-N-(2-oxochromen-6-yl)-1-phenylpyrazole-4-sulfonamide?
5-fluoro-N-(2-oxochromen-6-yl)-1-phenylpyrazole-4-sulfonamide has a molecular weight of 385.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-oxochromen-6-yl)-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 166397251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).