5-methoxy-9-(4-methylphenyl)sulfonyl-3,4-dihydropyrido[3,4-b]indole

C19H18N2O3S — CID 130473907

IUPAC5-methoxy-9-(4-methylphenyl)sulfonyl-3,4-dihydropyrido[3,4-b]indole
SMILESCOc1cccc2c1c1c(n2S(=O)(=O)c2ccc(C)cc2)C=NCC1
InChIInChI=1S/C19H18N2O3S/c1-13-6-8-14(9-7-13)25(22,23)21-16-4-3-5-18(24-2)19(16)15-10-11-20-12-17(15)21/h3-9,12H,10-11H2,1-2H3
InChIKeyLUVSIPABYBLQON-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.17
Rot. Bonds3

About 5-methoxy-9-(4-methylphenyl)sulfonyl-3,4-dihydropyrido[3,4-b]indole

5-methoxy-9-(4-methylphenyl)sulfonyl-3,4-dihydropyrido[3,4-b]indole (PubChem CID 130473907) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 5-methoxy-9-(4-methylphenyl)sulfonyl-3,4-dihydropyrido[3,4-b]indole.

Molecular Properties

Compound Name5-methoxy-9-(4-methylphenyl)sulfonyl-3,4-dihydropyrido[3,4-b]indole
PubChem CID130473907
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name5-methoxy-9-(4-methylphenyl)sulfonyl-3,4-dihydropyrido[3,4-b]indole
SMILESCOc1cccc2c1c1c(n2S(=O)(=O)c2ccc(C)cc2)C=NCC1
InChIInChI=1S/C19H18N2O3S/c1-13-6-8-14(9-7-13)25(22,23)21-16-4-3-5-18(24-2)19(16)15-10-11-20-12-17(15)21/h3-9,12H,10-11H2,1-2H3
InChIKeyLUVSIPABYBLQON-UHFFFAOYSA-N
XLogP3.17
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-methoxy-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid
CID 162695262
(3S,12bS)-3-ethyl-2-ethylidene-8-methoxy-12-(4-methylphenyl)sulfonyl-1,3,4,6,7,12b-hexahydroindolo[2,3-a]quinolizine
CID 158189391
2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole
CID 162398288
13,18-bis-(4-methylphenyl)sulfonyl-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene
CID 177415197
2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole
CID 102128726
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
11,12-dimethoxy-7-methyl-2-(4-methylphenyl)sulfonyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene
CID 132529606
2-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 19047864
4-methoxy-2-(1-methoxyindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 90868510
(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl) 4-methylbenzenesulfonate
CID 72756933
1-(5-iodo-2-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 90110466
(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 124500770

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-9-(4-methylphenyl)sulfonyl-3,4-dihydropyrido[3,4-b]indole?
The IUPAC name of 5-methoxy-9-(4-methylphenyl)sulfonyl-3,4-dihydropyrido[3,4-b]indole (CID 130473907) is 5-methoxy-9-(4-methylphenyl)sulfonyl-3,4-dihydropyrido[3,4-b]indole.
What is the SMILES notation for 5-methoxy-9-(4-methylphenyl)sulfonyl-3,4-dihydropyrido[3,4-b]indole?
The canonical SMILES for 5-methoxy-9-(4-methylphenyl)sulfonyl-3,4-dihydropyrido[3,4-b]indole is COc1cccc2c1c1c(n2S(=O)(=O)c2ccc(C)cc2)C=NCC1.
What is the InChIKey of 5-methoxy-9-(4-methylphenyl)sulfonyl-3,4-dihydropyrido[3,4-b]indole?
The InChIKey is LUVSIPABYBLQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-13-6-8-14(9-7-13)25(22,23)21-16-4-3-5-18(24-2)19(16)15-10-11-20-12-17(15)21/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 5-methoxy-9-(4-methylphenyl)sulfonyl-3,4-dihydropyrido[3,4-b]indole?
5-methoxy-9-(4-methylphenyl)sulfonyl-3,4-dihydropyrido[3,4-b]indole has a molecular weight of 354.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-9-(4-methylphenyl)sulfonyl-3,4-dihydropyrido[3,4-b]indole is sourced from PubChem (CID 130473907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).