methyl 2,3-dimethoxy-5-sulfamoylbenzoate

C10H13NO6S — CID 3017699

IUPACmethyl 2,3-dimethoxy-5-sulfamoylbenzoate
SMILESCOC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
InChIInChI=1S/C10H13NO6S/c1-15-8-5-6(18(11,13)14)4-7(9(8)16-2)10(12)17-3/h4-5H,1-3H3,(H2,11,13,14)
InChIKeyLLPQAUJOSNFUSU-UHFFFAOYSA-N
MW275.28 g/mol
LogP0.14
Rot. Bonds4

About methyl 2,3-dimethoxy-5-sulfamoylbenzoate

methyl 2,3-dimethoxy-5-sulfamoylbenzoate (PubChem CID 3017699) has the molecular formula C10H13NO6S and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 2,3-dimethoxy-5-sulfamoylbenzoate.

Molecular Properties

Compound Namemethyl 2,3-dimethoxy-5-sulfamoylbenzoate
PubChem CID3017699
Molecular FormulaC10H13NO6S
Molecular Weight275.28 g/mol
Exact Mass275.05
IUPAC Namemethyl 2,3-dimethoxy-5-sulfamoylbenzoate
SMILESCOC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
InChIInChI=1S/C10H13NO6S/c1-15-8-5-6(18(11,13)14)4-7(9(8)16-2)10(12)17-3/h4-5H,1-3H3,(H2,11,13,14)
InChIKeyLLPQAUJOSNFUSU-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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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dimethoxy-5-sulfamoylbenzoate?
The IUPAC name of methyl 2,3-dimethoxy-5-sulfamoylbenzoate (CID 3017699) is methyl 2,3-dimethoxy-5-sulfamoylbenzoate.
What is the SMILES notation for methyl 2,3-dimethoxy-5-sulfamoylbenzoate?
The canonical SMILES for methyl 2,3-dimethoxy-5-sulfamoylbenzoate is COC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC.
What is the InChIKey of methyl 2,3-dimethoxy-5-sulfamoylbenzoate?
The InChIKey is LLPQAUJOSNFUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6S/c1-15-8-5-6(18(11,13)14)4-7(9(8)16-2)10(12)17-3/h4-5H,1-3H3,(H2,11,13,14).
What are the key properties of methyl 2,3-dimethoxy-5-sulfamoylbenzoate?
methyl 2,3-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 2,3-dimethoxy-5-sulfamoylbenzoate is sourced from PubChem (CID 3017699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).