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

C25H25NO3S — CID 7312222

IUPAC2,4,5-trimethyl-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)cc1C
InChIInChI=1S/C25H25NO3S/c1-15-12-17(3)24(13-16(15)2)30(27,28)26-22-14-21-19-9-6-7-11-23(19)29-25(21)20-10-5-4-8-18(20)22/h4-5,8,10,12-14,26H,6-7,9,11H2,1-3H3
InChIKeyQIYUVBSQTHDJPJ-UHFFFAOYSA-N
MW419.55 g/mol
LogP6.19
Rot. Bonds3

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

2,4,5-trimethyl-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide (PubChem CID 7312222) has the molecular formula C25H25NO3S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
PubChem CID7312222
Molecular FormulaC25H25NO3S
Molecular Weight419.55 g/mol
Exact Mass419.16
IUPAC Name2,4,5-trimethyl-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)cc1C
InChIInChI=1S/C25H25NO3S/c1-15-12-17(3)24(13-16(15)2)30(27,28)26-22-14-21-19-9-6-7-11-23(19)29-25(21)20-10-5-4-8-18(20)22/h4-5,8,10,12-14,26H,6-7,9,11H2,1-3H3
InChIKeyQIYUVBSQTHDJPJ-UHFFFAOYSA-N
XLogP6.19
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide (CID 7312222) is 2,4,5-trimethyl-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
The InChIKey is QIYUVBSQTHDJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3S/c1-15-12-17(3)24(13-16(15)2)30(27,28)26-22-14-21-19-9-6-7-11-23(19)29-25(21)20-10-5-4-8-18(20)22/h4-5,8,10,12-14,26H,6-7,9,11H2,1-3H3.
What are the key properties of 2,4,5-trimethyl-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
2,4,5-trimethyl-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide has a molecular weight of 419.55 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide is sourced from PubChem (CID 7312222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).