ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate

C27H23NO4S — CID 132598521

IUPACethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate
SMILESCCOC(=O)c1c(C)c2c3ccccc3n(S(=O)(=O)c3ccc(C)cc3)c2c2ccccc12
InChIInChI=1S/C27H23NO4S/c1-4-32-27(29)25-18(3)24-22-11-7-8-12-23(22)28(26(24)21-10-6-5-9-20(21)25)33(30,31)19-15-13-17(2)14-16-19/h5-16H,4H2,1-3H3
InChIKeyQXDGMHDIRJSDKL-UHFFFAOYSA-N
MW457.55 g/mol
LogP5.98
Rot. Bonds4

About ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate

ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate (PubChem CID 132598521) has the molecular formula C27H23NO4S and a molecular weight of 457.55 g/mol. Its IUPAC name is ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate
PubChem CID132598521
Molecular FormulaC27H23NO4S
Molecular Weight457.55 g/mol
Exact Mass457.13
IUPAC Nameethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate
SMILESCCOC(=O)c1c(C)c2c3ccccc3n(S(=O)(=O)c3ccc(C)cc3)c2c2ccccc12
InChIInChI=1S/C27H23NO4S/c1-4-32-27(29)25-18(3)24-22-11-7-8-12-23(22)28(26(24)21-10-6-5-9-20(21)25)33(30,31)19-15-13-17(2)14-16-19/h5-16H,4H2,1-3H3
InChIKeyQXDGMHDIRJSDKL-UHFFFAOYSA-N
XLogP5.98
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.55
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1,4-dimethyl-9-(4-methylphenyl)sulfonylpyrido[3,4-b]indole-3-carboxylate
CID 135033650
methyl 1,4-dimethyl-5-(4-methylphenyl)sulfonylpyrido[4,3-b]indole-3-carboxylate
CID 135033651
methyl 5-butyl-11-methyl-12-(4-methylphenyl)sulfonylindolo[2,3-a]carbazole-6-carboxylate
CID 11813524
ethyl 5-(4-methylphenyl)sulfonyl-7,8-dihydro-6H-cyclohepta[b]indole-9-carboxylate
CID 102106611
2-(diethoxymethyl)-3-methyl-1-(4-methylphenyl)sulfonylindole
CID 10620251
lithium;magnesium;ethyl 1-(4-methylphenyl)sulfonyl-3H-indol-3-ide-2-carboxylate;dichloride
CID 134834917
3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide
CID 133054783
ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate
CID 102400135
ethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate
CID 10851265
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
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
ethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate
CID 10937613

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate?
The IUPAC name of ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate (CID 132598521) is ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate is CCOC(=O)c1c(C)c2c3ccccc3n(S(=O)(=O)c3ccc(C)cc3)c2c2ccccc12.
What is the InChIKey of ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate?
The InChIKey is QXDGMHDIRJSDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4S/c1-4-32-27(29)25-18(3)24-22-11-7-8-12-23(22)28(26(24)21-10-6-5-9-20(21)25)33(30,31)19-15-13-17(2)14-16-19/h5-16H,4H2,1-3H3.
What are the key properties of ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate?
ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate has a molecular weight of 457.55 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate is sourced from PubChem (CID 132598521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).