5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid

C15H18N2O5S — CID 2810318

IUPAC5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCOc1ccccc1CCNS(=O)(=O)c1ccc(C(=O)O)n1C
InChIInChI=1S/C15H18N2O5S/c1-17-12(15(18)19)7-8-14(17)23(20,21)16-10-9-11-5-3-4-6-13(11)22-2/h3-8,16H,9-10H2,1-2H3,(H,18,19)
InChIKeyNHIWTLXXLXDNTB-UHFFFAOYSA-N
MW338.39 g/mol
LogP1.25
Rot. Bonds7

About 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid

5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid (PubChem CID 2810318) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
PubChem CID2810318
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Name5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCOc1ccccc1CCNS(=O)(=O)c1ccc(C(=O)O)n1C
InChIInChI=1S/C15H18N2O5S/c1-17-12(15(18)19)7-8-14(17)23(20,21)16-10-9-11-5-3-4-6-13(11)22-2/h3-8,16H,9-10H2,1-2H3,(H,18,19)
InChIKeyNHIWTLXXLXDNTB-UHFFFAOYSA-N
XLogP1.25
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid (CID 2810318) is 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid is COc1ccccc1CCNS(=O)(=O)c1ccc(C(=O)O)n1C.
What is the InChIKey of 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is NHIWTLXXLXDNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-17-12(15(18)19)7-8-14(17)23(20,21)16-10-9-11-5-3-4-6-13(11)22-2/h3-8,16H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid?
5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 338.39 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 2810318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).