methyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate

C18H19NO6S — CID 35540100

IUPACmethyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)OC)c2C)c1
InChIInChI=1S/C18H19NO6S/c1-11-8-9-13(17(20)24-3)10-16(11)26(22,23)19-15-7-5-6-14(12(15)2)18(21)25-4/h5-10,19H,1-4H3
InChIKeySAMFDTYJQCRGKU-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.68
Rot. Bonds5

About methyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate

methyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate (PubChem CID 35540100) has the molecular formula C18H19NO6S and a molecular weight of 377.42 g/mol. Its IUPAC name is methyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate
PubChem CID35540100
Molecular FormulaC18H19NO6S
Molecular Weight377.42 g/mol
Exact Mass377.09
IUPAC Namemethyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)OC)c2C)c1
InChIInChI=1S/C18H19NO6S/c1-11-8-9-13(17(20)24-3)10-16(11)26(22,23)19-15-7-5-6-14(12(15)2)18(21)25-4/h5-10,19H,1-4H3
InChIKeySAMFDTYJQCRGKU-UHFFFAOYSA-N
XLogP2.68
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(3-chloro-2-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507003
3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid
CID 24502065
methyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507362
methyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate
CID 35508855
methyl 4-methyl-3-[(2-propan-2-ylphenyl)sulfamoyl]benzoate
CID 35507391
methyl 4-methyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 99600303
methyl 3-[(2-bromo-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507966
methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558
methyl 3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 7938266
dimethyl 2-[(3,4-dimethylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26952290
dimethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26949768
methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35506738

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate?
The IUPAC name of methyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate (CID 35540100) is methyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate is COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)OC)c2C)c1.
What is the InChIKey of methyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate?
The InChIKey is SAMFDTYJQCRGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6S/c1-11-8-9-13(17(20)24-3)10-16(11)26(22,23)19-15-7-5-6-14(12(15)2)18(21)25-4/h5-10,19H,1-4H3.
What are the key properties of methyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate?
methyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate has a molecular weight of 377.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate is sourced from PubChem (CID 35540100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).