methyl 3-sulfamoyl-1-benzothiophene-2-carboxylate

C10H9NO4S2 — CID 13178321

IUPACmethyl 3-sulfamoyl-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1sc2ccccc2c1S(N)(=O)=O
InChIInChI=1S/C10H9NO4S2/c1-15-10(12)8-9(17(11,13)14)6-4-2-3-5-7(6)16-8/h2-5H,1H3,(H2,11,13,14)
InChIKeyAYZXJNJOELZMFN-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.34
Rot. Bonds2

About methyl 3-sulfamoyl-1-benzothiophene-2-carboxylate

methyl 3-sulfamoyl-1-benzothiophene-2-carboxylate (PubChem CID 13178321) has the molecular formula C10H9NO4S2 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 3-sulfamoyl-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-sulfamoyl-1-benzothiophene-2-carboxylate
PubChem CID13178321
Molecular FormulaC10H9NO4S2
Molecular Weight271.32 g/mol
Exact Mass271.00
IUPAC Namemethyl 3-sulfamoyl-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1sc2ccccc2c1S(N)(=O)=O
InChIInChI=1S/C10H9NO4S2/c1-15-10(12)8-9(17(11,13)14)6-4-2-3-5-7(6)16-8/h2-5H,1H3,(H2,11,13,14)
InChIKeyAYZXJNJOELZMFN-UHFFFAOYSA-N
XLogP1.34
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-sulfamoyl-1-benzothiophene-2-carboxylate?
The IUPAC name of methyl 3-sulfamoyl-1-benzothiophene-2-carboxylate (CID 13178321) is methyl 3-sulfamoyl-1-benzothiophene-2-carboxylate.
What is the SMILES notation for methyl 3-sulfamoyl-1-benzothiophene-2-carboxylate?
The canonical SMILES for methyl 3-sulfamoyl-1-benzothiophene-2-carboxylate is COC(=O)c1sc2ccccc2c1S(N)(=O)=O.
What is the InChIKey of methyl 3-sulfamoyl-1-benzothiophene-2-carboxylate?
The InChIKey is AYZXJNJOELZMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S2/c1-15-10(12)8-9(17(11,13)14)6-4-2-3-5-7(6)16-8/h2-5H,1H3,(H2,11,13,14).
What are the key properties of methyl 3-sulfamoyl-1-benzothiophene-2-carboxylate?
methyl 3-sulfamoyl-1-benzothiophene-2-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-sulfamoyl-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 13178321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).