methyl 4-[(2,6-dimethylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate

C15H18N2O4S — CID 22515640

IUPACmethyl 4-[(2,6-dimethylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C)cn1C
InChIInChI=1S/C15H18N2O4S/c1-10-6-5-7-11(2)14(10)16-22(19,20)12-8-13(15(18)21-4)17(3)9-12/h5-9,16H,1-4H3
InChIKeyDWLVNOFGGANFLZ-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.23
Rot. Bonds4

About methyl 4-[(2,6-dimethylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate

methyl 4-[(2,6-dimethylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 22515640) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is methyl 4-[(2,6-dimethylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,6-dimethylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID22515640
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Namemethyl 4-[(2,6-dimethylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C)cn1C
InChIInChI=1S/C15H18N2O4S/c1-10-6-5-7-11(2)14(10)16-22(19,20)12-8-13(15(18)21-4)17(3)9-12/h5-9,16H,1-4H3
InChIKeyDWLVNOFGGANFLZ-UHFFFAOYSA-N
XLogP2.23
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,6-dimethylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(2,6-dimethylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate (CID 22515640) is methyl 4-[(2,6-dimethylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(2,6-dimethylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(2,6-dimethylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C)cn1C.
What is the InChIKey of methyl 4-[(2,6-dimethylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is DWLVNOFGGANFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-10-6-5-7-11(2)14(10)16-22(19,20)12-8-13(15(18)21-4)17(3)9-12/h5-9,16H,1-4H3.
What are the key properties of methyl 4-[(2,6-dimethylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
methyl 4-[(2,6-dimethylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 322.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,6-dimethylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 22515640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).