4-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-oxochromen-2-yl]benzenesulfonamide

C23H17NO5S — CID 142639265

IUPAC4-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-oxochromen-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C23H17NO5S/c24-30(26,27)17-8-5-14(6-9-17)23-21(16-7-10-19-15(13-16)11-12-28-19)22(25)18-3-1-2-4-20(18)29-23/h1-10,13H,11-12H2,(H2,24,26,27)
InChIKeyUPXRBBNOZUHQBQ-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.71
Rot. Bonds3

About 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-oxochromen-2-yl]benzenesulfonamide

4-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-oxochromen-2-yl]benzenesulfonamide (PubChem CID 142639265) has the molecular formula C23H17NO5S and a molecular weight of 419.46 g/mol. Its IUPAC name is 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-oxochromen-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-oxochromen-2-yl]benzenesulfonamide
PubChem CID142639265
Molecular FormulaC23H17NO5S
Molecular Weight419.46 g/mol
Exact Mass419.08
IUPAC Name4-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-oxochromen-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C23H17NO5S/c24-30(26,27)17-8-5-14(6-9-17)23-21(16-7-10-19-15(13-16)11-12-28-19)22(25)18-3-1-2-4-20(18)29-23/h1-10,13H,11-12H2,(H2,24,26,27)
InChIKeyUPXRBBNOZUHQBQ-UHFFFAOYSA-N
XLogP3.71
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-oxo-3-(2,4,6-trichlorophenyl)chromen-2-yl]benzenesulfonamide
CID 142639381
4-[3-(5-chlorothiophen-2-yl)-4-oxochromen-2-yl]benzenesulfonamide
CID 142639086
3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18324974
3-(4-hydroxyphenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18324893
4-[3-(4-fluorophenyl)-7-methoxy-4-oxochromen-2-yl]benzenesulfonamide
CID 18324892
4-[3-(2-fluorophenyl)-4-sulfanylidenechromen-2-yl]benzenesulfonamide
CID 18325029
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-oxofuro[3,2-c]chromen-3-yl]acetic acid
CID 135638657
2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 2776154
4-[3-(1-benzofuran-2-yl)-4-oxothiochromen-2-yl]benzenesulfonamide
CID 142639198
5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran
CID 23543562
4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one
CID 70061931
3-(cyclohexylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one
CID 13349163

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-oxochromen-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-oxochromen-2-yl]benzenesulfonamide (CID 142639265) is 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-oxochromen-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-oxochromen-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-oxochromen-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccc3c(c2)CCO3)cc1.
What is the InChIKey of 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-oxochromen-2-yl]benzenesulfonamide?
The InChIKey is UPXRBBNOZUHQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO5S/c24-30(26,27)17-8-5-14(6-9-17)23-21(16-7-10-19-15(13-16)11-12-28-19)22(25)18-3-1-2-4-20(18)29-23/h1-10,13H,11-12H2,(H2,24,26,27).
What are the key properties of 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-oxochromen-2-yl]benzenesulfonamide?
4-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-oxochromen-2-yl]benzenesulfonamide has a molecular weight of 419.46 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-oxochromen-2-yl]benzenesulfonamide is sourced from PubChem (CID 142639265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).