methyl 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylate

C10H13F2NO5S2 — CID 102794947

IUPACmethyl 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C10H13F2NO5S2/c1-6-3-19-7(9(15)18-2)8(6)20(16,17)13-4-10(11,12)5-14/h3,13-14H,4-5H2,1-2H3
InChIKeyCCRTWZPDKSBERQ-UHFFFAOYSA-N
MW329.35 g/mol
LogP0.75
Rot. Bonds6

About methyl 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylate

methyl 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylate (PubChem CID 102794947) has the molecular formula C10H13F2NO5S2 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylate
PubChem CID102794947
Molecular FormulaC10H13F2NO5S2
Molecular Weight329.35 g/mol
Exact Mass329.02
IUPAC Namemethyl 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C10H13F2NO5S2/c1-6-3-19-7(9(15)18-2)8(6)20(16,17)13-4-10(11,12)5-14/h3,13-14H,4-5H2,1-2H3
InChIKeyCCRTWZPDKSBERQ-UHFFFAOYSA-N
XLogP0.75
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylate (CID 102794947) is methyl 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of methyl 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The InChIKey is CCRTWZPDKSBERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO5S2/c1-6-3-19-7(9(15)18-2)8(6)20(16,17)13-4-10(11,12)5-14/h3,13-14H,4-5H2,1-2H3.
What are the key properties of methyl 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
methyl 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylate has a molecular weight of 329.35 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 102794947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).