propan-2-yl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate

C16H19F2NO4S — CID 11574032

IUPACpropan-2-yl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate
SMILESCC(C)OC(=O)C1=CCCCC1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H19F2NO4S/c1-10(2)23-16(20)12-5-3-4-6-15(12)24(21,22)19-14-8-7-11(17)9-13(14)18/h5,7-10,15,19H,3-4,6H2,1-2H3
InChIKeyYTKOXCUVRRISFJ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.14
Rot. Bonds5

About propan-2-yl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate

propan-2-yl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate (PubChem CID 11574032) has the molecular formula C16H19F2NO4S and a molecular weight of 359.39 g/mol. Its IUPAC name is propan-2-yl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate
PubChem CID11574032
Molecular FormulaC16H19F2NO4S
Molecular Weight359.39 g/mol
Exact Mass359.10
IUPAC Namepropan-2-yl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate
SMILESCC(C)OC(=O)C1=CCCCC1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H19F2NO4S/c1-10(2)23-16(20)12-5-3-4-6-15(12)24(21,22)19-14-8-7-11(17)9-13(14)18/h5,7-10,15,19H,3-4,6H2,1-2H3
InChIKeyYTKOXCUVRRISFJ-UHFFFAOYSA-N
XLogP3.14
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate?
The IUPAC name of propan-2-yl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate (CID 11574032) is propan-2-yl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate.
What is the SMILES notation for propan-2-yl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate?
The canonical SMILES for propan-2-yl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate is CC(C)OC(=O)C1=CCCCC1S(=O)(=O)Nc1ccc(F)cc1F.
What is the InChIKey of propan-2-yl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate?
The InChIKey is YTKOXCUVRRISFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO4S/c1-10(2)23-16(20)12-5-3-4-6-15(12)24(21,22)19-14-8-7-11(17)9-13(14)18/h5,7-10,15,19H,3-4,6H2,1-2H3.
What are the key properties of propan-2-yl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate?
propan-2-yl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate has a molecular weight of 359.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate is sourced from PubChem (CID 11574032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).