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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Related Compounds

methyl 4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 6625945
Methyl 4-[({1-[(4-methylphenyl)methyl]piperidin-4-YL}methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 16025629
Methyl 4-[({1-[(2,5-dimethylphenyl)methyl]piperidin-4-YL}methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 16025633
ethyl 1,2,5-trimethyl-4-[(pyridin-2-ylamino)sulfonyl]-1H-pyrrole-3-carboxylate
CID 20927343
methyl 4-{[benzyl(tert-butyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate
CID 20938572
methyl 4-{[(2-fluorophenyl)(propyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate
CID 20938589
Methyl 4-{[(3-bromophenyl)methyl]sulfamoyl}-1H-pyrrole-2-carboxylate
CID 20938603
Methyl 4-{[2-(4-chlorophenyl)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate
CID 22551871
methyl 4-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-1H-pyrrole-2-carboxylate
CID 22551963
methyl 4-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-1H-pyrrole-2-carboxylate
CID 22551964
Methyl 4-{[2-(4-methylphenyl)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate
CID 22551999
methyl 4-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-1H-pyrrole-2-carboxylate
CID 22552007

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).