methyl 4-[(3,5-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate

C15H18N2O6S — CID 22515637

IUPACmethyl 4-[(3,5-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2cc(OC)cc(OC)c2)cn1C
InChIInChI=1S/C15H18N2O6S/c1-17-9-13(8-14(17)15(18)23-4)24(19,20)16-10-5-11(21-2)7-12(6-10)22-3/h5-9,16H,1-4H3
InChIKeyDNDARVAIBFSLPH-UHFFFAOYSA-N
MW354.38 g/mol
LogP1.63
Rot. Bonds6

About methyl 4-[(3,5-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate

methyl 4-[(3,5-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 22515637) has the molecular formula C15H18N2O6S and a molecular weight of 354.38 g/mol. Its IUPAC name is methyl 4-[(3,5-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3,5-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID22515637
Molecular FormulaC15H18N2O6S
Molecular Weight354.38 g/mol
Exact Mass354.09
IUPAC Namemethyl 4-[(3,5-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2cc(OC)cc(OC)c2)cn1C
InChIInChI=1S/C15H18N2O6S/c1-17-9-13(8-14(17)15(18)23-4)24(19,20)16-10-5-11(21-2)7-12(6-10)22-3/h5-9,16H,1-4H3
InChIKeyDNDARVAIBFSLPH-UHFFFAOYSA-N
XLogP1.63
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3,5-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(3,5-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate (CID 22515637) is methyl 4-[(3,5-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(3,5-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(3,5-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)Nc2cc(OC)cc(OC)c2)cn1C.
What is the InChIKey of methyl 4-[(3,5-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is DNDARVAIBFSLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6S/c1-17-9-13(8-14(17)15(18)23-4)24(19,20)16-10-5-11(21-2)7-12(6-10)22-3/h5-9,16H,1-4H3.
What are the key properties of methyl 4-[(3,5-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
methyl 4-[(3,5-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 354.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3,5-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 22515637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).