ethyl 4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-1H-pyrrole-2-carboxylate

C10H13F3N2O4S — CID 150375685

IUPACethyl 4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)N[C@H](C)C(F)(F)F)c[nH]1
InChIInChI=1S/C10H13F3N2O4S/c1-3-19-9(16)8-4-7(5-14-8)20(17,18)15-6(2)10(11,12)13/h4-6,14-15H,3H2,1-2H3/t6-/m1/s1
InChIKeyGYQJUZRVBDIKMB-ZCFIWIBFSA-N
MW314.29 g/mol
LogP1.42
Rot. Bonds5

About ethyl 4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-1H-pyrrole-2-carboxylate

ethyl 4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 150375685) has the molecular formula C10H13F3N2O4S and a molecular weight of 314.29 g/mol. Its IUPAC name is ethyl 4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID150375685
Molecular FormulaC10H13F3N2O4S
Molecular Weight314.29 g/mol
Exact Mass314.05
IUPAC Nameethyl 4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)N[C@H](C)C(F)(F)F)c[nH]1
InChIInChI=1S/C10H13F3N2O4S/c1-3-19-9(16)8-4-7(5-14-8)20(17,18)15-6(2)10(11,12)13/h4-6,14-15H,3H2,1-2H3/t6-/m1/s1
InChIKeyGYQJUZRVBDIKMB-ZCFIWIBFSA-N
XLogP1.42
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-1H-pyrrole-2-carboxylate with MolForge

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Related Compounds

ethyl 4-ethylsulfonyl-1H-pyrrole-2-carboxylate
CID 99990576
ethyl 3-chloro-1,5-dimethyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 121294963
4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780827
4-(3-ethylpentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 63843659
methyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate
CID 6625900
3-methylbutyl 4-sulfamoyl-1H-pyrrole-2-carboxylate
CID 65380855
methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 121294894
ethyl 4-bromo-1H-pyrrole-2-carboxylate
CID 5324607
2-propan-2-yloxyethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate
CID 65382693
ethyl 3-(trifluoromethylsulfonyloxy)-1H-pyrazole-5-carboxylate
CID 154321389
ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoate
CID 46596027
ethyl 3-methyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoate
CID 2809519

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-1H-pyrrole-2-carboxylate (CID 150375685) is ethyl 4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-1H-pyrrole-2-carboxylate is CCOC(=O)c1cc(S(=O)(=O)N[C@H](C)C(F)(F)F)c[nH]1.
What is the InChIKey of ethyl 4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is GYQJUZRVBDIKMB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13F3N2O4S/c1-3-19-9(16)8-4-7(5-14-8)20(17,18)15-6(2)10(11,12)13/h4-6,14-15H,3H2,1-2H3/t6-/m1/s1.
What are the key properties of ethyl 4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-1H-pyrrole-2-carboxylate?
ethyl 4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 314.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 150375685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).