methyl 5-[benzyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate

C16H20N2O5S — CID 2810313

IUPACmethyl 5-[benzyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)n1C
InChIInChI=1S/C16H20N2O5S/c1-17-14(16(20)23-2)8-9-15(17)24(21,22)18(10-11-19)12-13-6-4-3-5-7-13/h3-9,19H,10-12H2,1-2H3
InChIKeyYTFCSXCZIPAABB-UHFFFAOYSA-N
MW352.41 g/mol
LogP0.99
Rot. Bonds7

About methyl 5-[benzyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate

methyl 5-[benzyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 2810313) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is methyl 5-[benzyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[benzyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID2810313
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Namemethyl 5-[benzyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)n1C
InChIInChI=1S/C16H20N2O5S/c1-17-14(16(20)23-2)8-9-15(17)24(21,22)18(10-11-19)12-13-6-4-3-5-7-13/h3-9,19H,10-12H2,1-2H3
InChIKeyYTFCSXCZIPAABB-UHFFFAOYSA-N
XLogP0.99
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(azepan-1-ylsulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
CID 2809931
5-[(dibenzylamino)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylic acid
CID 2810320
methyl 5-{[4-(aminocarbonyl)piperidino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2809929
methyl 5-{[4-(2-hydroxyethyl)piperazino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2809932
Methyl 5-(4-hydroxypiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylate
CID 2810186
methyl 5-{[(2-methoxyphenethyl)amino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2810307
Methyl 5-[[(1,1-dimethylethyl)amino]sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 2810314
methyl 5-[(benzylamino)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 2810316
methyl 5-{[(4-methoxybenzyl)amino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2810317
5-{[(2-methoxyphenethyl)amino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylic acid
CID 2810318
5-(1-azepanylsulfonyl)-1-methyl-1H-pyrrole-2-carboxylic acid
CID 2810323
1H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-methylphenyl)sulfonyl)-, ethyl ester
CID 464830

Frequently Asked Questions

What is the IUPAC name of methyl 5-[benzyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 5-[benzyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate (CID 2810313) is methyl 5-[benzyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-[benzyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 5-[benzyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)n1C.
What is the InChIKey of methyl 5-[benzyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is YTFCSXCZIPAABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-17-14(16(20)23-2)8-9-15(17)24(21,22)18(10-11-19)12-13-6-4-3-5-7-13/h3-9,19H,10-12H2,1-2H3.
What are the key properties of methyl 5-[benzyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
methyl 5-[benzyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 352.41 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[benzyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 2810313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).