ethyl 3-chloro-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate

C12H16ClF3N2O4S — CID 121294963

IUPACethyl 3-chloro-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1c(Cl)c(S(=O)(=O)N[C@H](C)C(F)(F)F)c(C)n1C
InChIInChI=1S/C12H16ClF3N2O4S/c1-5-22-11(19)9-8(13)10(6(2)18(9)4)23(20,21)17-7(3)12(14,15)16/h7,17H,5H2,1-4H3/t7-/m1/s1
InChIKeyLVTIBEHWFORCOX-SSDOTTSWSA-N
MW376.78 g/mol
LogP2.39
Rot. Bonds5

About ethyl 3-chloro-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate

ethyl 3-chloro-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate (PubChem CID 121294963) has the molecular formula C12H16ClF3N2O4S and a molecular weight of 376.78 g/mol. Its IUPAC name is ethyl 3-chloro-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
PubChem CID121294963
Molecular FormulaC12H16ClF3N2O4S
Molecular Weight376.78 g/mol
Exact Mass376.05
IUPAC Nameethyl 3-chloro-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1c(Cl)c(S(=O)(=O)N[C@H](C)C(F)(F)F)c(C)n1C
InChIInChI=1S/C12H16ClF3N2O4S/c1-5-22-11(19)9-8(13)10(6(2)18(9)4)23(20,21)17-7(3)12(14,15)16/h7,17H,5H2,1-4H3/t7-/m1/s1
InChIKeyLVTIBEHWFORCOX-SSDOTTSWSA-N
XLogP2.39
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.78
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-chloro-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate with MolForge

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Related Compounds

ethyl 4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-1H-pyrrole-2-carboxylate
CID 150375685
methyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 118295499
N-(3-cyano-4-fluorophenyl)-3-fluoro-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294819
ethyl 4-[(2-chloro-4-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 53059355
ethyl 1,3,5-trimethyl-4-[(2,4,6-trimethylphenyl)sulfamoyl]pyrrole-2-carboxylate
CID 53059358
ethyl 3-fluoro-1-methyl-4-[(1,1,1-trifluoro-3-hydroxypropan-2-yl)sulfamoyl]pyrrole-2-carboxylate
CID 175092780
ethyl 3-amino-4-chloro-1-propan-2-ylpyrazole-5-carboxylate
CID 19619969
methyl 3-bromo-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 121294844
5-chloro-N-(3-cyano-2,4-difluorophenyl)-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 123857661
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide
CID 78820356
methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 121294894
3-chloro-1,5-dimethyl-4-[2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrole-2-carboxylic acid
CID 121409846

Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate?
The IUPAC name of ethyl 3-chloro-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate (CID 121294963) is ethyl 3-chloro-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3-chloro-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3-chloro-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate is CCOC(=O)c1c(Cl)c(S(=O)(=O)N[C@H](C)C(F)(F)F)c(C)n1C.
What is the InChIKey of ethyl 3-chloro-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate?
The InChIKey is LVTIBEHWFORCOX-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H16ClF3N2O4S/c1-5-22-11(19)9-8(13)10(6(2)18(9)4)23(20,21)17-7(3)12(14,15)16/h7,17H,5H2,1-4H3/t7-/m1/s1.
What are the key properties of ethyl 3-chloro-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate?
ethyl 3-chloro-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate has a molecular weight of 376.78 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate is sourced from PubChem (CID 121294963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).