methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate

C10H13F3N2O4S — CID 121294894

IUPACmethyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1C
InChIInChI=1S/C10H13F3N2O4S/c1-6(10(11,12)13)14-20(17,18)7-4-8(9(16)19-3)15(2)5-7/h4-6,14H,1-3H3/t6-/m0/s1
InChIKeyKLMDHEJHLURADR-LURJTMIESA-N
MW314.29 g/mol
LogP1.04
Rot. Bonds4

About methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate

methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate (PubChem CID 121294894) has the molecular formula C10H13F3N2O4S and a molecular weight of 314.29 g/mol. Its IUPAC name is methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
PubChem CID121294894
Molecular FormulaC10H13F3N2O4S
Molecular Weight314.29 g/mol
Exact Mass314.05
IUPAC Namemethyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1C
InChIInChI=1S/C10H13F3N2O4S/c1-6(10(11,12)13)14-20(17,18)7-4-8(9(16)19-3)15(2)5-7/h4-6,14H,1-3H3/t6-/m0/s1
InChIKeyKLMDHEJHLURADR-LURJTMIESA-N
XLogP1.04
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-(2,3,4-trifluorophenyl)-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294965
N-(3-bromo-4-fluorophenyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 121294938
methyl 1-methyl-4-(2-phenylpropylsulfamoyl)pyrrole-2-carboxylate
CID 20914102
N-(3-bromo-4,5-difluorophenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane
CID 162030369
N-(4-fluoro-3-methylphenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide;sulfane
CID 159175155
methyl 3-bromo-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 121294844
methyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 118295499
methyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515635
methyl 1-methyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284077
ethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide
CID 144745457
methyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 46284055
ethyl 4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 97306609

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate (CID 121294894) is methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1C.
What is the InChIKey of methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate?
The InChIKey is KLMDHEJHLURADR-LURJTMIESA-N. The full InChI is InChI=1S/C10H13F3N2O4S/c1-6(10(11,12)13)14-20(17,18)7-4-8(9(16)19-3)15(2)5-7/h4-6,14H,1-3H3/t6-/m0/s1.
What are the key properties of methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate?
methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate has a molecular weight of 314.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate is sourced from PubChem (CID 121294894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).