ethyl 2,5-dimethyl-4-[(4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-3-carboxylate

C15H19N3O4S — CID 20923345

IUPACethyl 2,5-dimethyl-4-[(4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1cc(C)ccn1
InChIInChI=1S/C15H19N3O4S/c1-5-22-15(19)13-10(3)17-11(4)14(13)23(20,21)18-12-8-9(2)6-7-16-12/h6-8,17H,5H2,1-4H3,(H,16,18)
InChIKeyWBNNSOWTCQAQNZ-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.31
Rot. Bonds5

About ethyl 2,5-dimethyl-4-[(4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-3-carboxylate

ethyl 2,5-dimethyl-4-[(4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-3-carboxylate (PubChem CID 20923345) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is ethyl 2,5-dimethyl-4-[(4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dimethyl-4-[(4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-3-carboxylate
PubChem CID20923345
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Nameethyl 2,5-dimethyl-4-[(4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1cc(C)ccn1
InChIInChI=1S/C15H19N3O4S/c1-5-22-15(19)13-10(3)17-11(4)14(13)23(20,21)18-12-8-9(2)6-7-16-12/h6-8,17H,5H2,1-4H3,(H,16,18)
InChIKeyWBNNSOWTCQAQNZ-UHFFFAOYSA-N
XLogP2.31
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(3,4-difluorophenyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938481
ethyl 4-[(2-chlorophenyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20923398
ethyl 3,5-dimethyl-4-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-2-carboxylate
CID 43953879
2,3,5,6-tetramethyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 6462198
ethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938434
ethyl 2,5-dimethyl-4-(pyridin-3-ylmethylsulfamoyl)-1H-pyrrole-3-carboxylate
CID 20923289
ethyl 4-[[2-(N,4-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938458
ethyl 4-[[2-(3-ethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938446
ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate
CID 108781343
2-[(4-methyl-2-pyridinyl)sulfamoyl]acetic acid
CID 28774374
2,6-dimethyl-4-(methylamino)-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 107328600
ethyl 3-[4,5-dimethoxy-2-[(4-methyl-2-pyridinyl)sulfamoyl]phenyl]propanoate
CID 12600397

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dimethyl-4-[(4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2,5-dimethyl-4-[(4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-3-carboxylate (CID 20923345) is ethyl 2,5-dimethyl-4-[(4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2,5-dimethyl-4-[(4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2,5-dimethyl-4-[(4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1cc(C)ccn1.
What is the InChIKey of ethyl 2,5-dimethyl-4-[(4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is WBNNSOWTCQAQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-5-22-15(19)13-10(3)17-11(4)14(13)23(20,21)18-12-8-9(2)6-7-16-12/h6-8,17H,5H2,1-4H3,(H,16,18).
What are the key properties of ethyl 2,5-dimethyl-4-[(4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-3-carboxylate?
ethyl 2,5-dimethyl-4-[(4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 337.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dimethyl-4-[(4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 20923345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).