2,5-dimethyl-10-(4-methylphenyl)sulfonylindolo[3,2-b]quinolin-5-ium chloride

C24H21ClN2O2S — CID 177360736

IUPAC2,5-dimethyl-10-(4-methylphenyl)sulfonylindolo[3,2-b]quinolin-5-ium chloride
SMILESCc1ccc(S(=O)(=O)n2c3ccccc3c3c2cc2cc(C)ccc2[n+]3C)cc1.[Cl-]
InChIInChI=1S/C24H21N2O2S.ClH/c1-16-8-11-19(12-9-16)29(27,28)26-22-7-5-4-6-20(22)24-23(26)15-18-14-17(2)10-13-21(18)25(24)3;/h4-15H,1-3H3;1H/q+1;/p-1
InChIKeyMQAHGEYJKXHOLO-UHFFFAOYSA-M
MW436.96 g/mol
LogP1.63
Rot. Bonds2

About 2,5-dimethyl-10-(4-methylphenyl)sulfonylindolo[3,2-b]quinolin-5-ium chloride

2,5-dimethyl-10-(4-methylphenyl)sulfonylindolo[3,2-b]quinolin-5-ium chloride (PubChem CID 177360736) has the molecular formula C24H21ClN2O2S and a molecular weight of 436.96 g/mol. Its IUPAC name is 2,5-dimethyl-10-(4-methylphenyl)sulfonylindolo[3,2-b]quinolin-5-ium chloride.

Molecular Properties

Compound Name2,5-dimethyl-10-(4-methylphenyl)sulfonylindolo[3,2-b]quinolin-5-ium chloride
PubChem CID177360736
Molecular FormulaC24H21ClN2O2S
Molecular Weight436.96 g/mol
Exact Mass436.10
IUPAC Name2,5-dimethyl-10-(4-methylphenyl)sulfonylindolo[3,2-b]quinolin-5-ium chloride
SMILESCc1ccc(S(=O)(=O)n2c3ccccc3c3c2cc2cc(C)ccc2[n+]3C)cc1.[Cl-]
InChIInChI=1S/C24H21N2O2S.ClH/c1-16-8-11-19(12-9-16)29(27,28)26-22-7-5-4-6-20(22)24-23(26)15-18-14-17(2)10-13-21(18)25(24)3;/h4-15H,1-3H3;1H/q+1;/p-1
InChIKeyMQAHGEYJKXHOLO-UHFFFAOYSA-M
XLogP1.63
TPSA42.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(4-methylphenyl)-9-(4-methylphenyl)sulfonylpyrido[3,4-b]indole
CID 132547779
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
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-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041
2,5-dimethyl-10H-indolo[3,2-b]quinolin-5-ium;ethane
CID 177360716
2-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 19047864
3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide
CID 133054783
2,6-dimethyl-1-(4-methylphenyl)sulfonylindole
CID 10709284
9-(4-methylphenyl)sulfonyl-1-phenylthiopyrano[3,4-b]indole-3-thione
CID 50936650
5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol
CID 90800425
1-(4-methylphenyl)sulfonylquinolin-2-one
CID 11652332

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-10-(4-methylphenyl)sulfonylindolo[3,2-b]quinolin-5-ium chloride?
The IUPAC name of 2,5-dimethyl-10-(4-methylphenyl)sulfonylindolo[3,2-b]quinolin-5-ium chloride (CID 177360736) is 2,5-dimethyl-10-(4-methylphenyl)sulfonylindolo[3,2-b]quinolin-5-ium chloride.
What is the SMILES notation for 2,5-dimethyl-10-(4-methylphenyl)sulfonylindolo[3,2-b]quinolin-5-ium chloride?
The canonical SMILES for 2,5-dimethyl-10-(4-methylphenyl)sulfonylindolo[3,2-b]quinolin-5-ium chloride is Cc1ccc(S(=O)(=O)n2c3ccccc3c3c2cc2cc(C)ccc2[n+]3C)cc1.[Cl-].
What is the InChIKey of 2,5-dimethyl-10-(4-methylphenyl)sulfonylindolo[3,2-b]quinolin-5-ium chloride?
The InChIKey is MQAHGEYJKXHOLO-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H21N2O2S.ClH/c1-16-8-11-19(12-9-16)29(27,28)26-22-7-5-4-6-20(22)24-23(26)15-18-14-17(2)10-13-21(18)25(24)3;/h4-15H,1-3H3;1H/q+1;/p-1.
What are the key properties of 2,5-dimethyl-10-(4-methylphenyl)sulfonylindolo[3,2-b]quinolin-5-ium chloride?
2,5-dimethyl-10-(4-methylphenyl)sulfonylindolo[3,2-b]quinolin-5-ium chloride has a molecular weight of 436.96 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-10-(4-methylphenyl)sulfonylindolo[3,2-b]quinolin-5-ium chloride is sourced from PubChem (CID 177360736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).