1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid

C13H15N3O4S — CID 43420085

IUPAC1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1cc(C(=O)O)n(C)c1)c1ccccn1
InChIInChI=1S/C13H15N3O4S/c1-9(11-5-3-4-6-14-11)15-21(19,20)10-7-12(13(17)18)16(2)8-10/h3-9,15H,1-2H3,(H,17,18)
InChIKeyYRRDQKIGJITXAC-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.16
Rot. Bonds5

About 1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid

1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid (PubChem CID 43420085) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid
PubChem CID43420085
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1cc(C(=O)O)n(C)c1)c1ccccn1
InChIInChI=1S/C13H15N3O4S/c1-9(11-5-3-4-6-14-11)15-21(19,20)10-7-12(13(17)18)16(2)8-10/h3-9,15H,1-2H3,(H,17,18)
InChIKeyYRRDQKIGJITXAC-UHFFFAOYSA-N
XLogP1.16
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide
CID 106022878
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81400706
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide
CID 92520286
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
CID 2459314
4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 65312614
4-[(2-chloro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43245095
4-[(1-amino-3-methyl-1-oxobutan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 104654705
3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 18086450
ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate
CID 4878822
5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
CID 81392372

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid (CID 43420085) is 1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid is CC(NS(=O)(=O)c1cc(C(=O)O)n(C)c1)c1ccccn1.
What is the InChIKey of 1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid?
The InChIKey is YRRDQKIGJITXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-9(11-5-3-4-6-14-11)15-21(19,20)10-7-12(13(17)18)16(2)8-10/h3-9,15H,1-2H3,(H,17,18).
What are the key properties of 1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid?
1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid has a molecular weight of 309.35 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 43420085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).