methyl 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate

C11H16F2N2O5S — CID 114384082

IUPACmethyl 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C11H16F2N2O5S/c1-6-8(10(16)19-3)9(7(2)20-6)21(17,18)15-5-11(12,13)4-14/h15H,4-5,14H2,1-3H3
InChIKeyQAQCZJRTQHDZNO-UHFFFAOYSA-N
MW326.32 g/mol
LogP0.56
Rot. Bonds6

About methyl 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate

methyl 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate (PubChem CID 114384082) has the molecular formula C11H16F2N2O5S and a molecular weight of 326.32 g/mol. Its IUPAC name is methyl 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
PubChem CID114384082
Molecular FormulaC11H16F2N2O5S
Molecular Weight326.32 g/mol
Exact Mass326.07
IUPAC Namemethyl 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C11H16F2N2O5S/c1-6-8(10(16)19-3)9(7(2)20-6)21(17,18)15-5-11(12,13)4-14/h15H,4-5,14H2,1-3H3
InChIKeyQAQCZJRTQHDZNO-UHFFFAOYSA-N
XLogP0.56
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 4-[(tert-butylamino)sulfonyl]-2,5-dimethyl-3-furoate
CID 2742994
Methyl 2,5-dimethyl-4-(morpholinosulfonyl)-3-furoate
CID 2743001
Methyl 4-{[(cyclopropylmethyl)amino]sulfonyl}-2,5-dimethyl-3-furoate
CID 2809994
Methyl 4-{[cyclohexyl(methyl)amino]sulfonyl}-2,5-dimethyl-3-furoate
CID 2814176
2,5-Dimethyl-4-sulfamoylfuran-3-carboxylic acid
CID 39870159
Methyl 2,5-dimethyl-4-(1-pyrrolidinylsulfonyl)-3-furoate
CID 2742983
Methyl 2,5-dimethyl-4-(piperidinosulfonyl)-3-furoate
CID 2742993
Methyl 2,5-dimethyl-4-(piperazine-1-sulfonyl)furan-3-carboxylate hydrochloride
CID 121629090
Methyl 4-(cyclododecylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
CID 2809991
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,5-dimethyl-4-sulfamoylfuran-3-carboxylate
CID 40166611
2,5-Dimethyl-4-(2,2,2-trifluoroethylsulfamoyl)furan-3-carboxylic acid
CID 43137832
2,5-Dimethyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-3-carboxylic acid
CID 60892908

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The IUPAC name of methyl 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate (CID 114384082) is methyl 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for methyl 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC(F)(F)CN.
What is the InChIKey of methyl 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The InChIKey is QAQCZJRTQHDZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O5S/c1-6-8(10(16)19-3)9(7(2)20-6)21(17,18)15-5-11(12,13)4-14/h15H,4-5,14H2,1-3H3.
What are the key properties of methyl 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
methyl 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate has a molecular weight of 326.32 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 114384082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).