4-[3-(1-benzofuran-2-yl)-4-oxothiochromen-2-yl]benzenesulfonamide

C23H15NO4S2 — CID 142639198

IUPAC4-[3-(1-benzofuran-2-yl)-4-oxothiochromen-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2sc3ccccc3c(=O)c2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C23H15NO4S2/c24-30(26,27)16-11-9-14(10-12-16)23-21(19-13-15-5-1-3-7-18(15)28-19)22(25)17-6-2-4-8-20(17)29-23/h1-13H,(H2,24,26,27)
InChIKeySDSSOYFSCRUHJU-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.99
Rot. Bonds3

About 4-[3-(1-benzofuran-2-yl)-4-oxothiochromen-2-yl]benzenesulfonamide

4-[3-(1-benzofuran-2-yl)-4-oxothiochromen-2-yl]benzenesulfonamide (PubChem CID 142639198) has the molecular formula C23H15NO4S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-[3-(1-benzofuran-2-yl)-4-oxothiochromen-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(1-benzofuran-2-yl)-4-oxothiochromen-2-yl]benzenesulfonamide
PubChem CID142639198
Molecular FormulaC23H15NO4S2
Molecular Weight433.51 g/mol
Exact Mass433.04
IUPAC Name4-[3-(1-benzofuran-2-yl)-4-oxothiochromen-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2sc3ccccc3c(=O)c2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C23H15NO4S2/c24-30(26,27)16-11-9-14(10-12-16)23-21(19-13-15-5-1-3-7-18(15)28-19)22(25)17-6-2-4-8-20(17)29-23/h1-13H,(H2,24,26,27)
InChIKeySDSSOYFSCRUHJU-UHFFFAOYSA-N
XLogP4.99
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-ethylphenyl)-4-oxothiochromen-2-yl]benzenesulfonamide
CID 142639581
4-[3-(6-methyl-3-pyridinyl)-4-oxothiochromen-2-yl]benzenesulfonamide
CID 142639324
4-[3-(2-chloro-4-methylphenyl)-4-oxothiochromen-2-yl]benzenesulfonamide
CID 142639322
3-(5-chlorofuran-2-yl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
CID 142639274
3-(1-benzofuran-5-yl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
CID 142639654
4-[3-(3,4-dihydro-2H-thiochromen-6-yl)-4-oxothiochromen-2-yl]benzenesulfonamide
CID 142639341
2-[2-[8-[3-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]benzo[a]tetracen-13-yl]-1-benzothiophen-3-yl]-1-benzofuran
CID 129133068
3-(3,4-dimethoxyphenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
CID 142639417
4-[3-(5-chlorothiophen-2-yl)-4-oxochromen-2-yl]benzenesulfonamide
CID 142639086
4-[4-oxo-3-(2,4,6-trichlorophenyl)chromen-2-yl]benzenesulfonamide
CID 142639381
3-(4-ethylphenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
CID 142639276
3-(2-methoxyphenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
CID 142639457

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzofuran-2-yl)-4-oxothiochromen-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(1-benzofuran-2-yl)-4-oxothiochromen-2-yl]benzenesulfonamide (CID 142639198) is 4-[3-(1-benzofuran-2-yl)-4-oxothiochromen-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(1-benzofuran-2-yl)-4-oxothiochromen-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(1-benzofuran-2-yl)-4-oxothiochromen-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2sc3ccccc3c(=O)c2-c2cc3ccccc3o2)cc1.
What is the InChIKey of 4-[3-(1-benzofuran-2-yl)-4-oxothiochromen-2-yl]benzenesulfonamide?
The InChIKey is SDSSOYFSCRUHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO4S2/c24-30(26,27)16-11-9-14(10-12-16)23-21(19-13-15-5-1-3-7-18(15)28-19)22(25)17-6-2-4-8-20(17)29-23/h1-13H,(H2,24,26,27).
What are the key properties of 4-[3-(1-benzofuran-2-yl)-4-oxothiochromen-2-yl]benzenesulfonamide?
4-[3-(1-benzofuran-2-yl)-4-oxothiochromen-2-yl]benzenesulfonamide has a molecular weight of 433.51 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-benzofuran-2-yl)-4-oxothiochromen-2-yl]benzenesulfonamide is sourced from PubChem (CID 142639198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).