4-[3-(4-fluorophenyl)-7-methoxy-4-oxochromen-2-yl]benzenesulfonamide

C22H16FNO5S — CID 18324892

IUPAC4-[3-(4-fluorophenyl)-7-methoxy-4-oxochromen-2-yl]benzenesulfonamide
SMILESCOc1ccc2c(=O)c(-c3ccc(F)cc3)c(-c3ccc(S(N)(=O)=O)cc3)oc2c1
InChIInChI=1S/C22H16FNO5S/c1-28-16-8-11-18-19(12-16)29-22(14-4-9-17(10-5-14)30(24,26)27)20(21(18)25)13-2-6-15(23)7-3-13/h2-12H,1H3,(H2,24,26,27)
InChIKeyQIWVEUCOYYSJFY-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.92
Rot. Bonds4

About 4-[3-(4-fluorophenyl)-7-methoxy-4-oxochromen-2-yl]benzenesulfonamide

4-[3-(4-fluorophenyl)-7-methoxy-4-oxochromen-2-yl]benzenesulfonamide (PubChem CID 18324892) has the molecular formula C22H16FNO5S and a molecular weight of 425.44 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-7-methoxy-4-oxochromen-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-7-methoxy-4-oxochromen-2-yl]benzenesulfonamide
PubChem CID18324892
Molecular FormulaC22H16FNO5S
Molecular Weight425.44 g/mol
Exact Mass425.07
IUPAC Name4-[3-(4-fluorophenyl)-7-methoxy-4-oxochromen-2-yl]benzenesulfonamide
SMILESCOc1ccc2c(=O)c(-c3ccc(F)cc3)c(-c3ccc(S(N)(=O)=O)cc3)oc2c1
InChIInChI=1S/C22H16FNO5S/c1-28-16-8-11-18-19(12-16)29-22(14-4-9-17(10-5-14)30(24,26)27)20(21(18)25)13-2-6-15(23)7-3-13/h2-12H,1H3,(H2,24,26,27)
InChIKeyQIWVEUCOYYSJFY-UHFFFAOYSA-N
XLogP3.92
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18324902
4-[3-(3-methylphenyl)-4-oxochromen-2-yl]benzenesulfonamide
CID 18324999
3-amino-7-methoxy-2-phenylchromen-4-one
CID 101481005
4-[4-(4-fluorophenyl)-2-[(3-methoxyphenyl)methyl]-1,3-oxazol-5-yl]benzenesulfonamide;4-[4-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-oxazol-5-yl]benzenesulfonamide
CID 67751428
7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile
CID 71378369
2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 10619458
4-[4-oxo-3-(2,4,6-trichlorophenyl)chromen-2-yl]benzenesulfonamide
CID 142639381
7-fluoro-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one
CID 18324965
2-(4-fluorophenyl)-7-methoxychromene-4-thione
CID 46232007
6-fluoro-3-(6-methoxy-3-pyridinyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18325037
7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
CID 746442
2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CID 70689704

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-7-methoxy-4-oxochromen-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-7-methoxy-4-oxochromen-2-yl]benzenesulfonamide (CID 18324892) is 4-[3-(4-fluorophenyl)-7-methoxy-4-oxochromen-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-7-methoxy-4-oxochromen-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-7-methoxy-4-oxochromen-2-yl]benzenesulfonamide is COc1ccc2c(=O)c(-c3ccc(F)cc3)c(-c3ccc(S(N)(=O)=O)cc3)oc2c1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-7-methoxy-4-oxochromen-2-yl]benzenesulfonamide?
The InChIKey is QIWVEUCOYYSJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO5S/c1-28-16-8-11-18-19(12-16)29-22(14-4-9-17(10-5-14)30(24,26)27)20(21(18)25)13-2-6-15(23)7-3-13/h2-12H,1H3,(H2,24,26,27).
What are the key properties of 4-[3-(4-fluorophenyl)-7-methoxy-4-oxochromen-2-yl]benzenesulfonamide?
4-[3-(4-fluorophenyl)-7-methoxy-4-oxochromen-2-yl]benzenesulfonamide has a molecular weight of 425.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-7-methoxy-4-oxochromen-2-yl]benzenesulfonamide is sourced from PubChem (CID 18324892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).