methyl 4-[(5-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylate

C12H13N3O4S — CID 22551846

IUPACmethyl 4-[(5-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cn2)c[nH]1
InChIInChI=1S/C12H13N3O4S/c1-8-3-4-11(14-6-8)15-20(17,18)9-5-10(13-7-9)12(16)19-2/h3-7,13H,1-2H3,(H,14,15)
InChIKeyKOLFPXKVYOUPOH-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.31
Rot. Bonds4

About methyl 4-[(5-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylate

methyl 4-[(5-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 22551846) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is methyl 4-[(5-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID22551846
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Namemethyl 4-[(5-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cn2)c[nH]1
InChIInChI=1S/C12H13N3O4S/c1-8-3-4-11(14-6-8)15-20(17,18)9-5-10(13-7-9)12(16)19-2/h3-7,13H,1-2H3,(H,14,15)
InChIKeyKOLFPXKVYOUPOH-UHFFFAOYSA-N
XLogP1.31
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(5-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylate (CID 22551846) is methyl 4-[(5-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(5-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(5-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cn2)c[nH]1.
What is the InChIKey of methyl 4-[(5-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is KOLFPXKVYOUPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-8-3-4-11(14-6-8)15-20(17,18)9-5-10(13-7-9)12(16)19-2/h3-7,13H,1-2H3,(H,14,15).
What are the key properties of methyl 4-[(5-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[(5-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 295.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 22551846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).