methyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate

C15H18N2O5S — CID 53069006

IUPACmethyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)c(C)n1C
InChIInChI=1S/C15H18N2O5S/c1-10-14(9-13(17(10)2)15(18)22-4)23(19,20)16-11-5-7-12(21-3)8-6-11/h5-9,16H,1-4H3
InChIKeyHDHMHZFNUUKHEC-UHFFFAOYSA-N
MW338.39 g/mol
LogP1.93
Rot. Bonds5

About methyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate

methyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate (PubChem CID 53069006) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is methyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
PubChem CID53069006
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Namemethyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)c(C)n1C
InChIInChI=1S/C15H18N2O5S/c1-10-14(9-13(17(10)2)15(18)22-4)23(19,20)16-11-5-7-12(21-3)8-6-11/h5-9,16H,1-4H3
InChIKeyHDHMHZFNUUKHEC-UHFFFAOYSA-N
XLogP1.93
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrole-2-carboxylate
CID 53069046
methyl 4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 53069083
ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 53069156
methyl 4-chlorosulfonyl-1,5-dimethylpyrrole-2-carboxylate
CID 83488420
N-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 53092083
N-(4-methoxyphenyl)-1,2-dimethyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114946
N-(4-methoxyphenyl)-1,2-dimethyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114725
1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 53068635
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
2,3,4,5-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485024
N-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 106031218
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 26720987

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate (CID 53069006) is methyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)c(C)n1C.
What is the InChIKey of methyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate?
The InChIKey is HDHMHZFNUUKHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-10-14(9-13(17(10)2)15(18)22-4)23(19,20)16-11-5-7-12(21-3)8-6-11/h5-9,16H,1-4H3.
What are the key properties of methyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate?
methyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate has a molecular weight of 338.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate is sourced from PubChem (CID 53069006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).