4-ethoxy-N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide

C30H30N2O4S — CID 2873156

IUPAC4-ethoxy-N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc3c(c4ccccc24)OC2(C3)N(C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C30H30N2O4S/c1-5-35-21-14-16-22(17-15-21)37(33,34)31-26-18-20-19-30(36-28(20)24-11-7-6-10-23(24)26)29(2,3)25-12-8-9-13-27(25)32(30)4/h6-18,31H,5,19H2,1-4H3
InChIKeyVBHRIZIGIBFTIK-UHFFFAOYSA-N
MW514.65 g/mol
LogP6.10
Rot. Bonds5

About 4-ethoxy-N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide

4-ethoxy-N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide (PubChem CID 2873156) has the molecular formula C30H30N2O4S and a molecular weight of 514.65 g/mol. Its IUPAC name is 4-ethoxy-N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide
PubChem CID2873156
Molecular FormulaC30H30N2O4S
Molecular Weight514.65 g/mol
Exact Mass514.19
IUPAC Name4-ethoxy-N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc3c(c4ccccc24)OC2(C3)N(C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C30H30N2O4S/c1-5-35-21-14-16-22(17-15-21)37(33,34)31-26-18-20-19-30(36-28(20)24-11-7-6-10-23(24)26)29(2,3)25-12-8-9-13-27(25)32(30)4/h6-18,31H,5,19H2,1-4H3
InChIKeyVBHRIZIGIBFTIK-UHFFFAOYSA-N
XLogP6.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide (CID 2873156) is 4-ethoxy-N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cc3c(c4ccccc24)OC2(C3)N(C)c3ccccc3C2(C)C)cc1.
What is the InChIKey of 4-ethoxy-N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide?
The InChIKey is VBHRIZIGIBFTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4S/c1-5-35-21-14-16-22(17-15-21)37(33,34)31-26-18-20-19-30(36-28(20)24-11-7-6-10-23(24)26)29(2,3)25-12-8-9-13-27(25)32(30)4/h6-18,31H,5,19H2,1-4H3.
What are the key properties of 4-ethoxy-N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide?
4-ethoxy-N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide has a molecular weight of 514.65 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide is sourced from PubChem (CID 2873156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).