4-[3-(4-fluorophenyl)-4-oxochromen-2-yl]benzenesulfonamide

C21H14FNO4S — CID 18324937

IUPAC4-[3-(4-fluorophenyl)-4-oxochromen-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H14FNO4S/c22-15-9-5-13(6-10-15)19-20(24)17-3-1-2-4-18(17)27-21(19)14-7-11-16(12-8-14)28(23,25)26/h1-12H,(H2,23,25,26)
InChIKeyXNSDYVTYRILRJO-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.91
Rot. Bonds3

About 4-[3-(4-fluorophenyl)-4-oxochromen-2-yl]benzenesulfonamide

4-[3-(4-fluorophenyl)-4-oxochromen-2-yl]benzenesulfonamide (PubChem CID 18324937) has the molecular formula C21H14FNO4S and a molecular weight of 395.41 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-4-oxochromen-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-4-oxochromen-2-yl]benzenesulfonamide
PubChem CID18324937
Molecular FormulaC21H14FNO4S
Molecular Weight395.41 g/mol
Exact Mass395.06
IUPAC Name4-[3-(4-fluorophenyl)-4-oxochromen-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H14FNO4S/c22-15-9-5-13(6-10-15)19-20(24)17-3-1-2-4-18(17)27-21(19)14-7-11-16(12-8-14)28(23,25)26/h1-12H,(H2,23,25,26)
InChIKeyXNSDYVTYRILRJO-UHFFFAOYSA-N
XLogP3.91
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-4-oxochromen-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-4-oxochromen-2-yl]benzenesulfonamide (CID 18324937) is 4-[3-(4-fluorophenyl)-4-oxochromen-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-4-oxochromen-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-4-oxochromen-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-4-oxochromen-2-yl]benzenesulfonamide?
The InChIKey is XNSDYVTYRILRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNO4S/c22-15-9-5-13(6-10-15)19-20(24)17-3-1-2-4-18(17)27-21(19)14-7-11-16(12-8-14)28(23,25)26/h1-12H,(H2,23,25,26).
What are the key properties of 4-[3-(4-fluorophenyl)-4-oxochromen-2-yl]benzenesulfonamide?
4-[3-(4-fluorophenyl)-4-oxochromen-2-yl]benzenesulfonamide has a molecular weight of 395.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-4-oxochromen-2-yl]benzenesulfonamide is sourced from PubChem (CID 18324937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).