3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2-oxochromen-6-yl)benzamide

C23H17FN2O5S — CID 55863426

IUPAC3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2-oxochromen-6-yl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc4oc(=O)ccc4c3)c2)cc1F
InChIInChI=1S/C23H17FN2O5S/c1-14-5-8-19(13-20(14)24)32(29,30)26-18-4-2-3-16(12-18)23(28)25-17-7-9-21-15(11-17)6-10-22(27)31-21/h2-13,26H,1H3,(H,25,28)
InChIKeyCWPULCXZLHKZLQ-UHFFFAOYSA-N
MW452.46 g/mol
LogP4.29
Rot. Bonds5

About 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2-oxochromen-6-yl)benzamide

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2-oxochromen-6-yl)benzamide (PubChem CID 55863426) has the molecular formula C23H17FN2O5S and a molecular weight of 452.46 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2-oxochromen-6-yl)benzamide.

Molecular Properties

Compound Name3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2-oxochromen-6-yl)benzamide
PubChem CID55863426
Molecular FormulaC23H17FN2O5S
Molecular Weight452.46 g/mol
Exact Mass452.08
IUPAC Name3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2-oxochromen-6-yl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc4oc(=O)ccc4c3)c2)cc1F
InChIInChI=1S/C23H17FN2O5S/c1-14-5-8-19(13-20(14)24)32(29,30)26-18-4-2-3-16(12-18)23(28)25-17-7-9-21-15(11-17)6-10-22(27)31-21/h2-13,26H,1H3,(H,25,28)
InChIKeyCWPULCXZLHKZLQ-UHFFFAOYSA-N
XLogP4.29
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2-oxochromen-6-yl)benzamide?
The IUPAC name of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2-oxochromen-6-yl)benzamide (CID 55863426) is 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2-oxochromen-6-yl)benzamide.
What is the SMILES notation for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2-oxochromen-6-yl)benzamide?
The canonical SMILES for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2-oxochromen-6-yl)benzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc4oc(=O)ccc4c3)c2)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2-oxochromen-6-yl)benzamide?
The InChIKey is CWPULCXZLHKZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O5S/c1-14-5-8-19(13-20(14)24)32(29,30)26-18-4-2-3-16(12-18)23(28)25-17-7-9-21-15(11-17)6-10-22(27)31-21/h2-13,26H,1H3,(H,25,28).
What are the key properties of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2-oxochromen-6-yl)benzamide?
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2-oxochromen-6-yl)benzamide has a molecular weight of 452.46 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2-oxochromen-6-yl)benzamide is sourced from PubChem (CID 55863426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).