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

C26H23NO3S — CID 134946152

IUPAC5-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydrobenzo[g]indole
SMILESCOc1cc2c(c3ccccc13)N(S(=O)(=O)c1ccc(C)cc1)C(c1ccccc1)C2
InChIInChI=1S/C26H23NO3S/c1-18-12-14-21(15-13-18)31(28,29)27-24(19-8-4-3-5-9-19)16-20-17-25(30-2)22-10-6-7-11-23(22)26(20)27/h3-15,17,24H,16H2,1-2H3
InChIKeyLGGNKTRYUQDGMD-UHFFFAOYSA-N
MW429.54 g/mol
LogP5.65
Rot. Bonds4

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

5-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydrobenzo[g]indole (PubChem CID 134946152) has the molecular formula C26H23NO3S and a molecular weight of 429.54 g/mol. Its IUPAC name is 5-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydrobenzo[g]indole.

Molecular Properties

Compound Name5-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydrobenzo[g]indole
PubChem CID134946152
Molecular FormulaC26H23NO3S
Molecular Weight429.54 g/mol
Exact Mass429.14
IUPAC Name5-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydrobenzo[g]indole
SMILESCOc1cc2c(c3ccccc13)N(S(=O)(=O)c1ccc(C)cc1)C(c1ccccc1)C2
InChIInChI=1S/C26H23NO3S/c1-18-12-14-21(15-13-18)31(28,29)27-24(19-8-4-3-5-9-19)16-20-17-25(30-2)22-10-6-7-11-23(22)26(20)27/h3-15,17,24H,16H2,1-2H3
InChIKeyLGGNKTRYUQDGMD-UHFFFAOYSA-N
XLogP5.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.54
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,3R)-1-methyl-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinoline
CID 15425714
(4R)-6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 132567914
(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one
CID 122228868
5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydropyrazole
CID 53453555
6-(3-chlorophenyl)-1-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 73299407
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole
CID 12023220
(2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole
CID 102385769
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250
methyl (2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 58361055
(2S,6S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 6609993

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydrobenzo[g]indole?
The IUPAC name of 5-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydrobenzo[g]indole (CID 134946152) is 5-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydrobenzo[g]indole.
What is the SMILES notation for 5-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydrobenzo[g]indole?
The canonical SMILES for 5-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydrobenzo[g]indole is COc1cc2c(c3ccccc13)N(S(=O)(=O)c1ccc(C)cc1)C(c1ccccc1)C2.
What is the InChIKey of 5-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydrobenzo[g]indole?
The InChIKey is LGGNKTRYUQDGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3S/c1-18-12-14-21(15-13-18)31(28,29)27-24(19-8-4-3-5-9-19)16-20-17-25(30-2)22-10-6-7-11-23(22)26(20)27/h3-15,17,24H,16H2,1-2H3.
What are the key properties of 5-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydrobenzo[g]indole?
5-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydrobenzo[g]indole has a molecular weight of 429.54 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydrobenzo[g]indole is sourced from PubChem (CID 134946152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).