4-methoxy-N-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide

C24H23NO4S — CID 3382674

IUPAC4-methoxy-N-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCC(C)C4)cc1
InChIInChI=1S/C24H23NO4S/c1-15-7-12-23-20(13-15)21-14-22(18-5-3-4-6-19(18)24(21)29-23)25-30(26,27)17-10-8-16(28-2)9-11-17/h3-6,8-11,14-15,25H,7,12-13H2,1-2H3
InChIKeyRJYOVUQIOZBGGK-UHFFFAOYSA-N
MW421.52 g/mol
LogP5.52
Rot. Bonds4

About 4-methoxy-N-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide

4-methoxy-N-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide (PubChem CID 3382674) has the molecular formula C24H23NO4S and a molecular weight of 421.52 g/mol. Its IUPAC name is 4-methoxy-N-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
PubChem CID3382674
Molecular FormulaC24H23NO4S
Molecular Weight421.52 g/mol
Exact Mass421.13
IUPAC Name4-methoxy-N-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCC(C)C4)cc1
InChIInChI=1S/C24H23NO4S/c1-15-7-12-23-20(13-15)21-14-22(18-5-3-4-6-19(18)24(21)29-23)25-30(26,27)17-10-8-16(28-2)9-11-17/h3-6,8-11,14-15,25H,7,12-13H2,1-2H3
InChIKeyRJYOVUQIOZBGGK-UHFFFAOYSA-N
XLogP5.52
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
CID 7014182
4-chloro-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
CID 6618080
2,5-dibromo-N-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
CID 25036570
4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 992568
2-methyl-N-[(8R)-8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl]-5-nitrobenzenesulfonamide
CID 40893826
2-methyl-N-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
CID 4873389
1-methyl-N-[(8S)-8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl]-2-oxobenzo[cd]indole-6-sulfonamide
CID 40852680
4-bromo-N-(3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 4856212
4-(2-methylpropyl)-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
CID 25038212
4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 1183850
2,5-dimethyl-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
CID 3483588
5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid
CID 16761798

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide (CID 3382674) is 4-methoxy-N-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCC(C)C4)cc1.
What is the InChIKey of 4-methoxy-N-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
The InChIKey is RJYOVUQIOZBGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4S/c1-15-7-12-23-20(13-15)21-14-22(18-5-3-4-6-19(18)24(21)29-23)25-30(26,27)17-10-8-16(28-2)9-11-17/h3-6,8-11,14-15,25H,7,12-13H2,1-2H3.
What are the key properties of 4-methoxy-N-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
4-methoxy-N-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide has a molecular weight of 421.52 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide is sourced from PubChem (CID 3382674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).