methyl 2,4-dimethoxy-5-sulfamoylbenzoate

C10H13NO6S — CID 63840880

IUPACmethyl 2,4-dimethoxy-5-sulfamoylbenzoate
SMILESCOC(=O)c1cc(S(N)(=O)=O)c(OC)cc1OC
InChIInChI=1S/C10H13NO6S/c1-15-7-5-8(16-2)9(18(11,13)14)4-6(7)10(12)17-3/h4-5H,1-3H3,(H2,11,13,14)
InChIKeyUNCGTQXBRZBDBC-UHFFFAOYSA-N
MW275.28 g/mol
LogP0.14
Rot. Bonds4

About methyl 2,4-dimethoxy-5-sulfamoylbenzoate

methyl 2,4-dimethoxy-5-sulfamoylbenzoate (PubChem CID 63840880) has the molecular formula C10H13NO6S and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 2,4-dimethoxy-5-sulfamoylbenzoate.

Molecular Properties

Compound Namemethyl 2,4-dimethoxy-5-sulfamoylbenzoate
PubChem CID63840880
Molecular FormulaC10H13NO6S
Molecular Weight275.28 g/mol
Exact Mass275.05
IUPAC Namemethyl 2,4-dimethoxy-5-sulfamoylbenzoate
SMILESCOC(=O)c1cc(S(N)(=O)=O)c(OC)cc1OC
InChIInChI=1S/C10H13NO6S/c1-15-7-5-8(16-2)9(18(11,13)14)4-6(7)10(12)17-3/h4-5H,1-3H3,(H2,11,13,14)
InChIKeyUNCGTQXBRZBDBC-UHFFFAOYSA-N
XLogP0.14
TPSA104.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxy-N,N-dimethyl-5-sulfamoylbenzamide
CID 65373113
N-ethyl-2,4-dimethoxy-N-methyl-5-sulfamoylbenzamide
CID 65375421
methyl 2-bromo-4-methyl-5-sulfamoylbenzoate
CID 18937264
2-methoxy-4,5-dimethylbenzenesulfonamide
CID 27241719
methyl 4-hydroxy-2-methoxy-5-propan-2-ylbenzoate
CID 58236464
propyl 5-chlorosulfonyl-2,4-dimethoxybenzoate
CID 65398639
methyl 4,5-diiodo-2-methoxybenzoate
CID 130877100
methyl 4-ethyl-2-propan-2-yl-5-sulfamoylbenzoate
CID 18937045
methyl 2-ethynyl-4-methyl-5-sulfamoylbenzoate
CID 18937057
methyl 2-cyano-4-methyl-5-sulfamoylbenzoate
CID 18937228
5-chlorosulfonyl-2,4-dimethoxybenzoic acid
CID 16771362
methyl 5-bromo-4-chloro-2-methoxybenzoate
CID 26370082

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethoxy-5-sulfamoylbenzoate?
The IUPAC name of methyl 2,4-dimethoxy-5-sulfamoylbenzoate (CID 63840880) is methyl 2,4-dimethoxy-5-sulfamoylbenzoate.
What is the SMILES notation for methyl 2,4-dimethoxy-5-sulfamoylbenzoate?
The canonical SMILES for methyl 2,4-dimethoxy-5-sulfamoylbenzoate is COC(=O)c1cc(S(N)(=O)=O)c(OC)cc1OC.
What is the InChIKey of methyl 2,4-dimethoxy-5-sulfamoylbenzoate?
The InChIKey is UNCGTQXBRZBDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6S/c1-15-7-5-8(16-2)9(18(11,13)14)4-6(7)10(12)17-3/h4-5H,1-3H3,(H2,11,13,14).
What are the key properties of methyl 2,4-dimethoxy-5-sulfamoylbenzoate?
methyl 2,4-dimethoxy-5-sulfamoylbenzoate has a molecular weight of 275.28 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethoxy-5-sulfamoylbenzoate is sourced from PubChem (CID 63840880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).