methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate

C17H19NO5S — CID 27242666

IUPACmethyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C17H19NO5S/c1-11-9-15(22-3)16(10-12(11)2)24(20,21)18-14-8-6-5-7-13(14)17(19)23-4/h5-10,18H,1-4H3
InChIKeyOARKTFCHMDQTBI-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.90
Rot. Bonds5

About methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate

methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate (PubChem CID 27242666) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate
PubChem CID27242666
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Namemethyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C17H19NO5S/c1-11-9-15(22-3)16(10-12(11)2)24(20,21)18-14-8-6-5-7-13(14)17(19)23-4/h5-10,18H,1-4H3
InChIKeyOARKTFCHMDQTBI-UHFFFAOYSA-N
XLogP2.90
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322
N-[2-(methanesulfonamido)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113093442
3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid
CID 24502065
ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
CID 95969690
2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 94619748
methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 7939248
2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide
CID 91824586
4-chloro-2,5-dimethoxy-N-(2-methylphenyl)benzenesulfonamide
CID 163343299
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzamide
CID 91824621
methyl 2-[(2-methoxycarbonylphenyl)sulfamoylmethylsulfonylamino]benzoate
CID 91721090
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
2-[(2-methoxyphenyl)sulfonylamino]benzoic acid
CID 43091453

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate (CID 27242666) is methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate is COC(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(C)cc1OC.
What is the InChIKey of methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate?
The InChIKey is OARKTFCHMDQTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-11-9-15(22-3)16(10-12(11)2)24(20,21)18-14-8-6-5-7-13(14)17(19)23-4/h5-10,18H,1-4H3.
What are the key properties of methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate?
methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate has a molecular weight of 349.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 27242666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).