ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate

C17H21FN2O4S — CID 20927335

IUPACethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)Nc2ccc(F)cc2C)c(C)n(C)c1C
InChIInChI=1S/C17H21FN2O4S/c1-6-24-17(21)15-11(3)20(5)12(4)16(15)25(22,23)19-14-8-7-13(18)9-10(14)2/h7-9,19H,6H2,1-5H3
InChIKeyNYAOIQVHCKTNQV-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.07
Rot. Bonds5

About ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate

ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate (PubChem CID 20927335) has the molecular formula C17H21FN2O4S and a molecular weight of 368.43 g/mol. Its IUPAC name is ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
PubChem CID20927335
Molecular FormulaC17H21FN2O4S
Molecular Weight368.43 g/mol
Exact Mass368.12
IUPAC Nameethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)Nc2ccc(F)cc2C)c(C)n(C)c1C
InChIInChI=1S/C17H21FN2O4S/c1-6-24-17(21)15-11(3)20(5)12(4)16(15)25(22,23)19-14-8-7-13(18)9-10(14)2/h7-9,19H,6H2,1-5H3
InChIKeyNYAOIQVHCKTNQV-UHFFFAOYSA-N
XLogP3.07
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1,2,5-trimethyl-4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate
CID 20927351
ethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 22586129
N-(2,5-difluorophenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945274
ethyl 1,2,5-trimethyl-4-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate
CID 22586151
ethyl 1,2,5-trimethyl-4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]pyrrole-3-carboxylate
CID 20938550
ethyl 4-[(2-methoxyphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 53059394
ethyl 2-(4-fluoro-2-methylanilino)-5-methylbenzoate
CID 155452836
ethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 20927356
N-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
CID 16780731
ethyl 4-[(2-chloro-4-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 53059355
methyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 22552084
ethyl 4-[(2,4-difluorophenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 43954005

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate (CID 20927335) is ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)Nc2ccc(F)cc2C)c(C)n(C)c1C.
What is the InChIKey of ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The InChIKey is NYAOIQVHCKTNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4S/c1-6-24-17(21)15-11(3)20(5)12(4)16(15)25(22,23)19-14-8-7-13(18)9-10(14)2/h7-9,19H,6H2,1-5H3.
What are the key properties of ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate has a molecular weight of 368.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate is sourced from PubChem (CID 20927335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).