methyl 5-butyl-11-methyl-12-(4-methylphenyl)sulfonylindolo[2,3-a]carbazole-6-carboxylate

C32H30N2O4S — CID 11813524

IUPACmethyl 5-butyl-11-methyl-12-(4-methylphenyl)sulfonylindolo[2,3-a]carbazole-6-carboxylate
SMILESCCCCc1c(C(=O)OC)c2c3ccccc3n(C)c2c2c1c1ccccc1n2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C32H30N2O4S/c1-5-6-11-24-27-23-13-8-10-15-26(23)34(39(36,37)21-18-16-20(2)17-19-21)31(27)30-28(29(24)32(35)38-4)22-12-7-9-14-25(22)33(30)3/h7-10,12-19H,5-6,11H2,1-4H3
InChIKeyJYEOTSSYJTVQMV-UHFFFAOYSA-N
MW538.67 g/mol
LogP7.11
Rot. Bonds6

About methyl 5-butyl-11-methyl-12-(4-methylphenyl)sulfonylindolo[2,3-a]carbazole-6-carboxylate

methyl 5-butyl-11-methyl-12-(4-methylphenyl)sulfonylindolo[2,3-a]carbazole-6-carboxylate (PubChem CID 11813524) has the molecular formula C32H30N2O4S and a molecular weight of 538.67 g/mol. Its IUPAC name is methyl 5-butyl-11-methyl-12-(4-methylphenyl)sulfonylindolo[2,3-a]carbazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-butyl-11-methyl-12-(4-methylphenyl)sulfonylindolo[2,3-a]carbazole-6-carboxylate
PubChem CID11813524
Molecular FormulaC32H30N2O4S
Molecular Weight538.67 g/mol
Exact Mass538.19
IUPAC Namemethyl 5-butyl-11-methyl-12-(4-methylphenyl)sulfonylindolo[2,3-a]carbazole-6-carboxylate
SMILESCCCCc1c(C(=O)OC)c2c3ccccc3n(C)c2c2c1c1ccccc1n2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C32H30N2O4S/c1-5-6-11-24-27-23-13-8-10-15-26(23)34(39(36,37)21-18-16-20(2)17-19-21)31(27)30-28(29(24)32(35)38-4)22-12-7-9-14-25(22)33(30)3/h7-10,12-19H,5-6,11H2,1-4H3
InChIKeyJYEOTSSYJTVQMV-UHFFFAOYSA-N
XLogP7.11
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.67
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1,4-dimethyl-5-(4-methylphenyl)sulfonylpyrido[4,3-b]indole-3-carboxylate
CID 135033651
methyl 1,4-dimethyl-9-(4-methylphenyl)sulfonylpyrido[3,4-b]indole-3-carboxylate
CID 135033650
ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate
CID 132598521
3-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]propanal
CID 101417591
N-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide
CID 132918897
methyl 1-(5-ethylsulfanylcarbonylfuran-2-yl)-9-(4-methylphenyl)sulfonylpyrido[3,4-b]indole-3-carboxylate
CID 50936880
methyl 5-(4-methylphenyl)sulfonyl-1-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole-3-carboxylate
CID 44631751
methyl 2-[3-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylindol-2-yl]acetate
CID 134933724
[2-butyl-1-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1H-cyclopenta[b]indol-3-yl] acetate
CID 122386931
methyl 1-methyl-2-propylindole-3-carboxylate
CID 102080307
2-hexyl-1-(4-methylphenyl)sulfonylquinolin-4-one
CID 132575549
methyl 9-(4-methylphenyl)sulfonyl-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]furan-2-yl]pyrido[3,4-b]indole-3-carboxylate
CID 50936648

Frequently Asked Questions

What is the IUPAC name of methyl 5-butyl-11-methyl-12-(4-methylphenyl)sulfonylindolo[2,3-a]carbazole-6-carboxylate?
The IUPAC name of methyl 5-butyl-11-methyl-12-(4-methylphenyl)sulfonylindolo[2,3-a]carbazole-6-carboxylate (CID 11813524) is methyl 5-butyl-11-methyl-12-(4-methylphenyl)sulfonylindolo[2,3-a]carbazole-6-carboxylate.
What is the SMILES notation for methyl 5-butyl-11-methyl-12-(4-methylphenyl)sulfonylindolo[2,3-a]carbazole-6-carboxylate?
The canonical SMILES for methyl 5-butyl-11-methyl-12-(4-methylphenyl)sulfonylindolo[2,3-a]carbazole-6-carboxylate is CCCCc1c(C(=O)OC)c2c3ccccc3n(C)c2c2c1c1ccccc1n2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 5-butyl-11-methyl-12-(4-methylphenyl)sulfonylindolo[2,3-a]carbazole-6-carboxylate?
The InChIKey is JYEOTSSYJTVQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O4S/c1-5-6-11-24-27-23-13-8-10-15-26(23)34(39(36,37)21-18-16-20(2)17-19-21)31(27)30-28(29(24)32(35)38-4)22-12-7-9-14-25(22)33(30)3/h7-10,12-19H,5-6,11H2,1-4H3.
What are the key properties of methyl 5-butyl-11-methyl-12-(4-methylphenyl)sulfonylindolo[2,3-a]carbazole-6-carboxylate?
methyl 5-butyl-11-methyl-12-(4-methylphenyl)sulfonylindolo[2,3-a]carbazole-6-carboxylate has a molecular weight of 538.67 g/mol, XLogP of 7.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-butyl-11-methyl-12-(4-methylphenyl)sulfonylindolo[2,3-a]carbazole-6-carboxylate is sourced from PubChem (CID 11813524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).