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

C23H21NO4S — CID 7014182

IUPAC4-methoxy-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)cc1
InChIInChI=1S/C23H21NO4S/c1-27-15-10-12-16(13-11-15)29(25,26)24-21-14-20-18-7-4-5-9-22(18)28-23(20)19-8-3-2-6-17(19)21/h2-3,6,8,10-14,24H,4-5,7,9H2,1H3
InChIKeyFFVNHLBXWDXVIO-UHFFFAOYSA-N
MW407.49 g/mol
LogP5.27
Rot. Bonds4

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

4-methoxy-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide (PubChem CID 7014182) has the molecular formula C23H21NO4S and a molecular weight of 407.49 g/mol. Its IUPAC name is 4-methoxy-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
PubChem CID7014182
Molecular FormulaC23H21NO4S
Molecular Weight407.49 g/mol
Exact Mass407.12
IUPAC Name4-methoxy-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)cc1
InChIInChI=1S/C23H21NO4S/c1-27-15-10-12-16(13-11-15)29(25,26)24-21-14-20-18-7-4-5-9-22(18)28-23(20)19-8-3-2-6-17(19)21/h2-3,6,8,10-14,24H,4-5,7,9H2,1H3
InChIKeyFFVNHLBXWDXVIO-UHFFFAOYSA-N
XLogP5.27
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.49
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide (CID 7014182) is 4-methoxy-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)cc1.
What is the InChIKey of 4-methoxy-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
The InChIKey is FFVNHLBXWDXVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4S/c1-27-15-10-12-16(13-11-15)29(25,26)24-21-14-20-18-7-4-5-9-22(18)28-23(20)19-8-3-2-6-17(19)21/h2-3,6,8,10-14,24H,4-5,7,9H2,1H3.
What are the key properties of 4-methoxy-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
4-methoxy-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide has a molecular weight of 407.49 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide is sourced from PubChem (CID 7014182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).