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

C17H22N2O7S — CID 53069046

IUPACmethyl 1,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2cc(OC)c(OC)c(OC)c2)c(C)n1C
InChIInChI=1S/C17H22N2O7S/c1-10-15(9-12(19(10)2)17(20)26-6)27(21,22)18-11-7-13(23-3)16(25-5)14(8-11)24-4/h7-9,18H,1-6H3
InChIKeyOHBKUYNMFJCVHQ-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.95
Rot. Bonds7

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

methyl 1,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrole-2-carboxylate (PubChem CID 53069046) has the molecular formula C17H22N2O7S and a molecular weight of 398.44 g/mol. Its IUPAC name is methyl 1,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrole-2-carboxylate
PubChem CID53069046
Molecular FormulaC17H22N2O7S
Molecular Weight398.44 g/mol
Exact Mass398.11
IUPAC Namemethyl 1,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2cc(OC)c(OC)c(OC)c2)c(C)n1C
InChIInChI=1S/C17H22N2O7S/c1-10-15(9-12(19(10)2)17(20)26-6)27(21,22)18-11-7-13(23-3)16(25-5)14(8-11)24-4/h7-9,18H,1-6H3
InChIKeyOHBKUYNMFJCVHQ-UHFFFAOYSA-N
XLogP1.95
TPSA105.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 53069006
methyl 4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 53069083
methyl 4-chlorosulfonyl-1,5-dimethylpyrrole-2-carboxylate
CID 83488420
methyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 51049222
methyl 1,5-dimethyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate
CID 53069074
6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide
CID 53092178
5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 8512676
2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 2988024
4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 39824469
1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide
CID 83092973
methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,5-dimethylpyrrole-2-carboxylate
CID 53069044
methyl 7-methoxy-1,4-dimethylindole-2-carboxylate
CID 132843169

Frequently Asked Questions

What is the IUPAC name of methyl 1,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 1,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrole-2-carboxylate (CID 53069046) is methyl 1,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 1,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)Nc2cc(OC)c(OC)c(OC)c2)c(C)n1C.
What is the InChIKey of methyl 1,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrole-2-carboxylate?
The InChIKey is OHBKUYNMFJCVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O7S/c1-10-15(9-12(19(10)2)17(20)26-6)27(21,22)18-11-7-13(23-3)16(25-5)14(8-11)24-4/h7-9,18H,1-6H3.
What are the key properties of methyl 1,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrole-2-carboxylate?
methyl 1,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrole-2-carboxylate has a molecular weight of 398.44 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrole-2-carboxylate is sourced from PubChem (CID 53069046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).