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

C10H12ClF3N2O4S — CID 118295499

IUPACmethyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1c(Cl)c(S(=O)(=O)N[C@H](C)C(F)(F)F)cn1C
InChIInChI=1S/C10H12ClF3N2O4S/c1-5(10(12,13)14)15-21(18,19)6-4-16(2)8(7(6)11)9(17)20-3/h4-5,15H,1-3H3/t5-/m1/s1
InChIKeyBSCSBXPDHOADJE-RXMQYKEDSA-N
MW348.73 g/mol
LogP1.69
Rot. Bonds4

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

methyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate (PubChem CID 118295499) has the molecular formula C10H12ClF3N2O4S and a molecular weight of 348.73 g/mol. Its IUPAC name is methyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
PubChem CID118295499
Molecular FormulaC10H12ClF3N2O4S
Molecular Weight348.73 g/mol
Exact Mass348.02
IUPAC Namemethyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1c(Cl)c(S(=O)(=O)N[C@H](C)C(F)(F)F)cn1C
InChIInChI=1S/C10H12ClF3N2O4S/c1-5(10(12,13)14)15-21(18,19)6-4-16(2)8(7(6)11)9(17)20-3/h4-5,15H,1-3H3/t5-/m1/s1
InChIKeyBSCSBXPDHOADJE-RXMQYKEDSA-N
XLogP1.69
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.73
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 3-bromo-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 121294844
methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate
CID 121294803
methyl 3-chloro-4-[(3,3-difluoro-1-methylcyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 118295547
3-chloro-N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 118302158
3-chloro-N-(3-fluoro-2-methyl-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 118302142
3-chloro-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 123270381
methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 121294894
3-chloro-N-(2-cyano-4-pyridinyl)-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 123670491
methyl 3-chloro-4-chlorosulfonyl-1-propan-2-ylpyrrole-2-carboxylate
CID 121294870
3-chloro-N-(2-chloro-4-pyridinyl)-4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 118302349
methyl 3-bromo-4-(but-3-en-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 140762726
N-(2-bromo-4-pyridinyl)-3-chloro-4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 118302048

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate (CID 118295499) is methyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate is COC(=O)c1c(Cl)c(S(=O)(=O)N[C@H](C)C(F)(F)F)cn1C.
What is the InChIKey of methyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate?
The InChIKey is BSCSBXPDHOADJE-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H12ClF3N2O4S/c1-5(10(12,13)14)15-21(18,19)6-4-16(2)8(7(6)11)9(17)20-3/h4-5,15H,1-3H3/t5-/m1/s1.
What are the key properties of methyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate?
methyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate has a molecular weight of 348.73 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate is sourced from PubChem (CID 118295499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).