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

C26H27NO3S — CID 25038212

IUPAC4-(2-methylpropyl)-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)cc1
InChIInChI=1S/C26H27NO3S/c1-17(2)15-18-11-13-19(14-12-18)31(28,29)27-24-16-23-21-8-5-6-10-25(21)30-26(23)22-9-4-3-7-20(22)24/h3-4,7,9,11-14,16-17,27H,5-6,8,10,15H2,1-2H3
InChIKeyCIIHWTXHKUPGFP-UHFFFAOYSA-N
MW433.57 g/mol
LogP6.46
Rot. Bonds5

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

4-(2-methylpropyl)-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide (PubChem CID 25038212) has the molecular formula C26H27NO3S and a molecular weight of 433.57 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
PubChem CID25038212
Molecular FormulaC26H27NO3S
Molecular Weight433.57 g/mol
Exact Mass433.17
IUPAC Name4-(2-methylpropyl)-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)cc1
InChIInChI=1S/C26H27NO3S/c1-17(2)15-18-11-13-19(14-12-18)31(28,29)27-24-16-23-21-8-5-6-10-25(21)30-26(23)22-9-4-3-7-20(22)24/h3-4,7,9,11-14,16-17,27H,5-6,8,10,15H2,1-2H3
InChIKeyCIIHWTXHKUPGFP-UHFFFAOYSA-N
XLogP6.46
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.57
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methylpropyl)-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide (CID 25038212) is 4-(2-methylpropyl)-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylpropyl)-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
The InChIKey is CIIHWTXHKUPGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3S/c1-17(2)15-18-11-13-19(14-12-18)31(28,29)27-24-16-23-21-8-5-6-10-25(21)30-26(23)22-9-4-3-7-20(22)24/h3-4,7,9,11-14,16-17,27H,5-6,8,10,15H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
4-(2-methylpropyl)-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide has a molecular weight of 433.57 g/mol, XLogP of 6.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide is sourced from PubChem (CID 25038212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).