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

C29H29NO2S — CID 155936256

IUPAC5-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole
SMILESCCCc1c2c(c3ccccc3c1C)N(S(=O)(=O)c1ccc(C)cc1)C(c1ccccc1)C2
InChIInChI=1S/C29H29NO2S/c1-4-10-24-21(3)25-13-8-9-14-26(25)29-27(24)19-28(22-11-6-5-7-12-22)30(29)33(31,32)23-17-15-20(2)16-18-23/h5-9,11-18,28H,4,10,19H2,1-3H3
InChIKeyUJRJKPIKFOHYQD-UHFFFAOYSA-N
MW455.62 g/mol
LogP6.90
Rot. Bonds5

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

5-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole (PubChem CID 155936256) has the molecular formula C29H29NO2S and a molecular weight of 455.62 g/mol. Its IUPAC name is 5-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole.

Molecular Properties

Compound Name5-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole
PubChem CID155936256
Molecular FormulaC29H29NO2S
Molecular Weight455.62 g/mol
Exact Mass455.19
IUPAC Name5-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole
SMILESCCCc1c2c(c3ccccc3c1C)N(S(=O)(=O)c1ccc(C)cc1)C(c1ccccc1)C2
InChIInChI=1S/C29H29NO2S/c1-4-10-24-21(3)25-13-8-9-14-26(25)29-27(24)19-28(22-11-6-5-7-12-22)30(29)33(31,32)23-17-15-20(2)16-18-23/h5-9,11-18,28H,4,10,19H2,1-3H3
InChIKeyUJRJKPIKFOHYQD-UHFFFAOYSA-N
XLogP6.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.62
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole 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 5-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole?
The IUPAC name of 5-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole (CID 155936256) is 5-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole.
What is the SMILES notation for 5-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole?
The canonical SMILES for 5-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole is CCCc1c2c(c3ccccc3c1C)N(S(=O)(=O)c1ccc(C)cc1)C(c1ccccc1)C2.
What is the InChIKey of 5-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole?
The InChIKey is UJRJKPIKFOHYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO2S/c1-4-10-24-21(3)25-13-8-9-14-26(25)29-27(24)19-28(22-11-6-5-7-12-22)30(29)33(31,32)23-17-15-20(2)16-18-23/h5-9,11-18,28H,4,10,19H2,1-3H3.
What are the key properties of 5-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole?
5-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole has a molecular weight of 455.62 g/mol, XLogP of 6.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propyl-2,3-dihydrobenzo[g]indole is sourced from PubChem (CID 155936256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).