methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate

C18H21NO6S — CID 31701712

IUPACmethyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H21NO6S/c1-23-16-8-7-13(11-17(16)24-2)9-10-19-26(21,22)15-6-4-5-14(12-15)18(20)25-3/h4-8,11-12,19H,9-10H2,1-3H3
InChIKeyOHYXJXDSMHSIJB-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.01
Rot. Bonds8

About methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate

methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate (PubChem CID 31701712) has the molecular formula C18H21NO6S and a molecular weight of 379.43 g/mol. Its IUPAC name is methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate
PubChem CID31701712
Molecular FormulaC18H21NO6S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Namemethyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H21NO6S/c1-23-16-8-7-13(11-17(16)24-2)9-10-19-26(21,22)15-6-4-5-14(12-15)18(20)25-3/h4-8,11-12,19H,9-10H2,1-3H3
InChIKeyOHYXJXDSMHSIJB-UHFFFAOYSA-N
XLogP2.01
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[2-(1,3-benzodioxol-5-yl)ethylsulfamoyl]benzoate
CID 31765938
methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate
CID 100552162
(E)-3-[3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenyl]prop-2-enoic acid
CID 67019612
methyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate
CID 44819893
3-[(3-methoxycarbonylphenyl)sulfonylamino]propanoic acid
CID 43093020
3-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 110787294
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 19680884
methyl 3-[3-(methylamino)propylsulfamoyl]benzoate
CID 43605987
5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 25179868
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259
methyl 3-(3-hydroxybutylsulfamoyl)benzoate
CID 64913335
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50837756

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate?
The IUPAC name of methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate (CID 31701712) is methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate?
The canonical SMILES for methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate?
The InChIKey is OHYXJXDSMHSIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6S/c1-23-16-8-7-13(11-17(16)24-2)9-10-19-26(21,22)15-6-4-5-14(12-15)18(20)25-3/h4-8,11-12,19H,9-10H2,1-3H3.
What are the key properties of methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate?
methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate has a molecular weight of 379.43 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate is sourced from PubChem (CID 31701712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).