methyl 3-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-sulfamoylthiophene-2-carboxylate

C10H9ClN2O5S2 — CID 18009277

IUPACmethyl 3-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-sulfamoylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(S(N)(=O)=O)c1-c1noc(C)c1Cl
InChIInChI=1S/C10H9ClN2O5S2/c1-4-7(11)8(13-18-4)6-5(20(12,15)16)3-19-9(6)10(14)17-2/h3H,1-2H3,(H2,12,15,16)
InChIKeySLCDSCCYJLBGLT-UHFFFAOYSA-N
MW336.78 g/mol
LogP1.80
Rot. Bonds3

About methyl 3-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-sulfamoylthiophene-2-carboxylate

methyl 3-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-sulfamoylthiophene-2-carboxylate (PubChem CID 18009277) has the molecular formula C10H9ClN2O5S2 and a molecular weight of 336.78 g/mol. Its IUPAC name is methyl 3-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-sulfamoylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-sulfamoylthiophene-2-carboxylate
PubChem CID18009277
Molecular FormulaC10H9ClN2O5S2
Molecular Weight336.78 g/mol
Exact Mass335.96
IUPAC Namemethyl 3-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-sulfamoylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(S(N)(=O)=O)c1-c1noc(C)c1Cl
InChIInChI=1S/C10H9ClN2O5S2/c1-4-7(11)8(13-18-4)6-5(20(12,15)16)3-19-9(6)10(14)17-2/h3H,1-2H3,(H2,12,15,16)
InChIKeySLCDSCCYJLBGLT-UHFFFAOYSA-N
XLogP1.80
TPSA112.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-sulfamoylthiophene-2-carboxylate?
The IUPAC name of methyl 3-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-sulfamoylthiophene-2-carboxylate (CID 18009277) is methyl 3-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-sulfamoylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-sulfamoylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-sulfamoylthiophene-2-carboxylate is COC(=O)c1scc(S(N)(=O)=O)c1-c1noc(C)c1Cl.
What is the InChIKey of methyl 3-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-sulfamoylthiophene-2-carboxylate?
The InChIKey is SLCDSCCYJLBGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O5S2/c1-4-7(11)8(13-18-4)6-5(20(12,15)16)3-19-9(6)10(14)17-2/h3H,1-2H3,(H2,12,15,16).
What are the key properties of methyl 3-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-sulfamoylthiophene-2-carboxylate?
methyl 3-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-sulfamoylthiophene-2-carboxylate has a molecular weight of 336.78 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-sulfamoylthiophene-2-carboxylate is sourced from PubChem (CID 18009277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).