2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide

C22H25NO3S — CID 7559471

About 2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide

2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide (PubChem CID 7559471) has the molecular formula C22H25NO3S and a molecular weight of 383.51 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
• PubChem CID: 7559471
• Molecular Formula: C22H25NO3S
• Molecular Weight: 383.51 g/mol
• Exact Mass: 383.16
• IUPAC Name: 2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
• SMILES: Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)CC[C@H](C)C4)c(C)c1
• InChI: InChI=1S/C22H25NO3S/c1-13-5-7-18-19-12-17(6-8-20(19)26-21(18)11-13)23-27(24,25)22-15(3)9-14(2)10-16(22)4/h6,8-10,12-13,23H,5,7,11H2,1-4H3/t13-/m0/s1
• InChIKey: QRDKYYCJOFVWDS-ZDUSSCGKSA-N
• XLogP: 5.28
• TPSA: 59.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.51
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide?

The IUPAC name of 2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide (CID 7559471) is 2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide.

What is the SMILES notation for 2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide?

The canonical SMILES for 2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)CC[C@H](C)C4)c(C)c1.

What is the InChIKey of 2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide?

The InChIKey is QRDKYYCJOFVWDS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H25NO3S/c1-13-5-7-18-19-12-17(6-8-20(19)26-21(18)11-13)23-27(24,25)22-15(3)9-14(2)10-16(22)4/h6,8-10,12-13,23H,5,7,11H2,1-4H3/t13-/m0/s1.

What are the key properties of 2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide?

2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide has a molecular weight of 383.51 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide is sourced from PubChem (CID 7559471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).