2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one

C25H22N2O5S2 — CID 138982150

IUPAC2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one
SMILESCc1ccc(S(=O)(=O)N2CC(=O)c3c(n(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)C2)cc1
InChIInChI=1S/C25H22N2O5S2/c1-17-7-11-19(12-8-17)33(29,30)26-15-23-25(24(28)16-26)21-5-3-4-6-22(21)27(23)34(31,32)20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3
InChIKeyRBVXIMQHXSRXPS-UHFFFAOYSA-N
MW494.59 g/mol
LogP3.88
Rot. Bonds4

About 2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one

2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one (PubChem CID 138982150) has the molecular formula C25H22N2O5S2 and a molecular weight of 494.59 g/mol. Its IUPAC name is 2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one.

Molecular Properties

Compound Name2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one
PubChem CID138982150
Molecular FormulaC25H22N2O5S2
Molecular Weight494.59 g/mol
Exact Mass494.10
IUPAC Name2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one
SMILESCc1ccc(S(=O)(=O)N2CC(=O)c3c(n(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)C2)cc1
InChIInChI=1S/C25H22N2O5S2/c1-17-7-11-19(12-8-17)33(29,30)26-15-23-25(24(28)16-26)21-5-3-4-6-22(21)27(23)34(31,32)20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3
InChIKeyRBVXIMQHXSRXPS-UHFFFAOYSA-N
XLogP3.88
TPSA93.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-methylphenyl)sulfonyl-5,6-dihydrobenzo[c]carbazole-1,4-dione
CID 132577368
2-[9-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydro-1H-carbazol-3-yl]acetonitrile
CID 139233286
3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
CID 24814813
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]-9-[9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25209134
2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole
CID 132600980
[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane
CID 175023681
(1S,12R)-9-(4-methylphenyl)sulfonyl-9-azatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-15-one
CID 162413828
4-ethenyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazole
CID 24874540
1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one
CID 102280475
4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole
CID 134957407
(4aR,11cR)-3,4a-dimethyl-7-(4-methylphenyl)sulfonyl-6,11c-dihydro-1H-chromeno[3,4-b]indol-2-one
CID 164682880
2'-(2-methylphenyl)-2,9-bis-(4-methylphenyl)sulfonylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-oxane]
CID 122204438

Frequently Asked Questions

What is the IUPAC name of 2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one?
The IUPAC name of 2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one (CID 138982150) is 2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one.
What is the SMILES notation for 2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one?
The canonical SMILES for 2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one is Cc1ccc(S(=O)(=O)N2CC(=O)c3c(n(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)C2)cc1.
What is the InChIKey of 2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one?
The InChIKey is RBVXIMQHXSRXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5S2/c1-17-7-11-19(12-8-17)33(29,30)26-15-23-25(24(28)16-26)21-5-3-4-6-22(21)27(23)34(31,32)20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3.
What are the key properties of 2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one?
2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one has a molecular weight of 494.59 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one is sourced from PubChem (CID 138982150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).