methyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate

C22H19NO5S — CID 2486172

IUPACmethyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)cc1)c1ccccc12
InChIInChI=1S/C22H19NO5S/c1-13-8-10-15(11-9-13)29(25,26)23-19-12-18-20(22(24)27-3)14(2)28-21(18)17-7-5-4-6-16(17)19/h4-12,23H,1-3H3
InChIKeyZFSUHNUUDSHOIB-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.79
Rot. Bonds4

About methyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate

methyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate (PubChem CID 2486172) has the molecular formula C22H19NO5S and a molecular weight of 409.46 g/mol. Its IUPAC name is methyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate
PubChem CID2486172
Molecular FormulaC22H19NO5S
Molecular Weight409.46 g/mol
Exact Mass409.10
IUPAC Namemethyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)cc1)c1ccccc12
InChIInChI=1S/C22H19NO5S/c1-13-8-10-15(11-9-13)29(25,26)23-19-12-18-20(22(24)27-3)14(2)28-21(18)17-7-5-4-6-16(17)19/h4-12,23H,1-3H3
InChIKeyZFSUHNUUDSHOIB-UHFFFAOYSA-N
XLogP4.79
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-ethylbenzenesulfonamide
CID 1105992
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 5000421
5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid
CID 7574180
5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid
CID 16761798
5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide
CID 25037352
methyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-(methoxymethyl)benzo[g][1]benzofuran-3-carboxylate
CID 1326813
ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 1490255
heptyl 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 2486248
ethyl 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzo[g][1]benzofuran-3-carboxylate
CID 171977289
7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
CID 25047325
4-methoxy-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
CID 7014182
(2S)-2-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoate
CID 7720329

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate (CID 2486172) is methyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate is COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)cc1)c1ccccc12.
What is the InChIKey of methyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate?
The InChIKey is ZFSUHNUUDSHOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5S/c1-13-8-10-15(11-9-13)29(25,26)23-19-12-18-20(22(24)27-3)14(2)28-21(18)17-7-5-4-6-16(17)19/h4-12,23H,1-3H3.
What are the key properties of methyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate?
methyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate has a molecular weight of 409.46 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate is sourced from PubChem (CID 2486172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).