2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-oxochromen-6-yl)acetamide

C23H17FN2O5S — CID 55978172

IUPAC2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-oxochromen-6-yl)acetamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C23H17FN2O5S/c24-17-4-9-20(10-5-17)32(29,30)26-18-6-1-15(2-7-18)13-22(27)25-19-8-11-21-16(14-19)3-12-23(28)31-21/h1-12,14,26H,13H2,(H,25,27)
InChIKeyLQZWMQYHCXACDF-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.91
Rot. Bonds6

About 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-oxochromen-6-yl)acetamide

2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-oxochromen-6-yl)acetamide (PubChem CID 55978172) has the molecular formula C23H17FN2O5S and a molecular weight of 452.46 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-oxochromen-6-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-oxochromen-6-yl)acetamide
PubChem CID55978172
Molecular FormulaC23H17FN2O5S
Molecular Weight452.46 g/mol
Exact Mass452.08
IUPAC Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-oxochromen-6-yl)acetamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C23H17FN2O5S/c24-17-4-9-20(10-5-17)32(29,30)26-18-6-1-15(2-7-18)13-22(27)25-19-8-11-21-16(14-19)3-12-23(28)31-21/h1-12,14,26H,13H2,(H,25,27)
InChIKeyLQZWMQYHCXACDF-UHFFFAOYSA-N
XLogP3.91
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.91
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 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-oxochromen-6-yl)acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-oxochromen-6-yl)acetamide (CID 55978172) is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-oxochromen-6-yl)acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-oxochromen-6-yl)acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-oxochromen-6-yl)acetamide is O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc2oc(=O)ccc2c1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-oxochromen-6-yl)acetamide?
The InChIKey is LQZWMQYHCXACDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O5S/c24-17-4-9-20(10-5-17)32(29,30)26-18-6-1-15(2-7-18)13-22(27)25-19-8-11-21-16(14-19)3-12-23(28)31-21/h1-12,14,26H,13H2,(H,25,27).
What are the key properties of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-oxochromen-6-yl)acetamide?
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-oxochromen-6-yl)acetamide has a molecular weight of 452.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-oxochromen-6-yl)acetamide is sourced from PubChem (CID 55978172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).