methyl 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate

C10H9BrN2O5S2 — CID 10833686

IUPACmethyl 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Br
InChIInChI=1S/C10H9BrN2O5S2/c1-5-7(11)9(18-12-5)13-20(15,16)6-3-4-19-8(6)10(14)17-2/h3-4,13H,1-2H3
InChIKeyGFJCZELBSGPAPC-UHFFFAOYSA-N
MW381.23 g/mol
LogP2.39
Rot. Bonds4

About methyl 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 10833686) has the molecular formula C10H9BrN2O5S2 and a molecular weight of 381.23 g/mol. Its IUPAC name is methyl 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
PubChem CID10833686
Molecular FormulaC10H9BrN2O5S2
Molecular Weight381.23 g/mol
Exact Mass379.91
IUPAC Namemethyl 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Br
InChIInChI=1S/C10H9BrN2O5S2/c1-5-7(11)9(18-12-5)13-20(15,16)6-3-4-19-8(6)10(14)17-2/h3-4,13H,1-2H3
InChIKeyGFJCZELBSGPAPC-UHFFFAOYSA-N
XLogP2.39
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate (CID 10833686) is methyl 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Br.
What is the InChIKey of methyl 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is GFJCZELBSGPAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O5S2/c1-5-7(11)9(18-12-5)13-20(15,16)6-3-4-19-8(6)10(14)17-2/h3-4,13H,1-2H3.
What are the key properties of methyl 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 381.23 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 10833686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).