Methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate

C₁₁H₁₇ClN₂O₄S — CID 121294803

About Methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate

Methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate (PubChem CID 121294803) has the molecular formula C₁₁H₁₇ClN₂O₄S and a molecular weight of 308.79 g/mol. Its IUPAC name is methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate.

Molecular Properties

• Compound Name: Methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate
• PubChem CID: 121294803
• Molecular Formula: C₁₁H₁₇ClN₂O₄S
• Molecular Weight: 308.79 g/mol
• Exact Mass: 308.06
• IUPAC Name: methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate
• SMILES: CC[C@@H](C)NS(=O)(=O)c1cn(C)c(C(=O)OC)c1Cl
• InChI: InChI=1S/C11H17ClN2O4S/c1-5-7(2)13-19(16,17)8-6-14(3)10(9(8)12)11(15)18-4/h6-7,13H,5H2,1-4H3/t7-/m1/s1
• InChIKey: STWANZJQZJPOIW-SSDOTTSWSA-N
• XLogP: 1.54
• TPSA: 77.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.79
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate?

The IUPAC name of Methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate (CID 121294803) is methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate.

What is the SMILES notation for Methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate?

The canonical SMILES for Methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate is CC[C@@H](C)NS(=O)(=O)c1cn(C)c(C(=O)OC)c1Cl.

What is the InChIKey of Methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate?

The InChIKey is STWANZJQZJPOIW-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17ClN2O4S/c1-5-7(2)13-19(16,17)8-6-14(3)10(9(8)12)11(15)18-4/h6-7,13H,5H2,1-4H3/t7-/m1/s1.

What are the key properties of Methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate?

Methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate has a molecular weight of 308.79 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 121294803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121294803 — identifiers, structure, computed properties (public domain)

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