methyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate

C18H19NO6S — CID 35507362

IUPACmethyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1C
InChIInChI=1S/C18H19NO6S/c1-4-25-18(21)14-7-5-6-8-15(14)19-26(22,23)16-11-13(17(20)24-3)10-9-12(16)2/h5-11,19H,4H2,1-3H3
InChIKeyBFUNQLZECIDZNZ-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.76
Rot. Bonds6

About methyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate

methyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate (PubChem CID 35507362) has the molecular formula C18H19NO6S and a molecular weight of 377.42 g/mol. Its IUPAC name is methyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate
PubChem CID35507362
Molecular FormulaC18H19NO6S
Molecular Weight377.42 g/mol
Exact Mass377.09
IUPAC Namemethyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1C
InChIInChI=1S/C18H19NO6S/c1-4-25-18(21)14-7-5-6-8-15(14)19-26(22,23)16-11-13(17(20)24-3)10-9-12(16)2/h5-11,19H,4H2,1-3H3
InChIKeyBFUNQLZECIDZNZ-UHFFFAOYSA-N
XLogP2.76
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid
CID 24502065
methyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate
CID 35540100
methyl 4-methyl-3-[(2-propan-2-ylphenyl)sulfamoyl]benzoate
CID 35507391
methyl 4-methyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 99600303
ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
CID 95969690
methyl 3-[(3-chloro-2-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507003
methyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate
CID 35508855
ethyl 2-[(4-bromo-3-methylphenyl)sulfonylamino]benzoate
CID 2696978
methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate
CID 27242666
methyl 3-[(2-bromo-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507966
methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate?
The IUPAC name of methyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate (CID 35507362) is methyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate?
The canonical SMILES for methyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate is CCOC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1C.
What is the InChIKey of methyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate?
The InChIKey is BFUNQLZECIDZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6S/c1-4-25-18(21)14-7-5-6-8-15(14)19-26(22,23)16-11-13(17(20)24-3)10-9-12(16)2/h5-11,19H,4H2,1-3H3.
What are the key properties of methyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate?
methyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate has a molecular weight of 377.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate is sourced from PubChem (CID 35507362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).