5-ethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole

C30H31NO2S — CID 155936257

IUPAC5-ethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole
SMILESCCCc1c2c(c3ccccc3c1CC)N(S(=O)(=O)c1ccc(C)cc1)C(c1ccccc1)C2
InChIInChI=1S/C30H31NO2S/c1-4-11-25-24(5-2)26-14-9-10-15-27(26)30-28(25)20-29(22-12-7-6-8-13-22)31(30)34(32,33)23-18-16-21(3)17-19-23/h6-10,12-19,29H,4-5,11,20H2,1-3H3
InChIKeyBEOMAMUVICAWJE-UHFFFAOYSA-N
MW469.65 g/mol
LogP7.16
Rot. Bonds6

About 5-ethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole

5-ethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole (PubChem CID 155936257) has the molecular formula C30H31NO2S and a molecular weight of 469.65 g/mol. Its IUPAC name is 5-ethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole.

Molecular Properties

Compound Name5-ethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole
PubChem CID155936257
Molecular FormulaC30H31NO2S
Molecular Weight469.65 g/mol
Exact Mass469.21
IUPAC Name5-ethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole
SMILESCCCc1c2c(c3ccccc3c1CC)N(S(=O)(=O)c1ccc(C)cc1)C(c1ccccc1)C2
InChIInChI=1S/C30H31NO2S/c1-4-11-25-24(5-2)26-14-9-10-15-27(26)30-28(25)20-29(22-12-7-6-8-13-22)31(30)34(32,33)23-18-16-21(3)17-19-23/h6-10,12-19,29H,4-5,11,20H2,1-3H3
InChIKeyBEOMAMUVICAWJE-UHFFFAOYSA-N
XLogP7.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.65
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole?
The IUPAC name of 5-ethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole (CID 155936257) is 5-ethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole.
What is the SMILES notation for 5-ethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole?
The canonical SMILES for 5-ethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole is CCCc1c2c(c3ccccc3c1CC)N(S(=O)(=O)c1ccc(C)cc1)C(c1ccccc1)C2.
What is the InChIKey of 5-ethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole?
The InChIKey is BEOMAMUVICAWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO2S/c1-4-11-25-24(5-2)26-14-9-10-15-27(26)30-28(25)20-29(22-12-7-6-8-13-22)31(30)34(32,33)23-18-16-21(3)17-19-23/h6-10,12-19,29H,4-5,11,20H2,1-3H3.
What are the key properties of 5-ethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole?
5-ethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole has a molecular weight of 469.65 g/mol, XLogP of 7.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole is sourced from PubChem (CID 155936257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).