4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid

C12H13N3O4S — CID 81400706

IUPAC4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESC[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1ccccn1
InChIInChI=1S/C12H13N3O4S/c1-8(10-4-2-3-5-13-10)15-20(18,19)9-6-11(12(16)17)14-7-9/h2-8,14-15H,1H3,(H,16,17)/t8-/m1/s1
InChIKeyOOPDZSWGVLWYMJ-MRVPVSSYSA-N
MW295.32 g/mol
LogP1.15
Rot. Bonds5

About 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 81400706) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID81400706
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESC[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1ccccn1
InChIInChI=1S/C12H13N3O4S/c1-8(10-4-2-3-5-13-10)15-20(18,19)9-6-11(12(16)17)14-7-9/h2-8,14-15H,1H3,(H,16,17)/t8-/m1/s1
InChIKeyOOPDZSWGVLWYMJ-MRVPVSSYSA-N
XLogP1.15
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106022849
5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106022937
4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43535672
1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43420085
4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43701897
4-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81352467
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
5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
CID 81393153
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
CID 2459314
3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 18086450

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 81400706) is 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid is C[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1ccccn1.
What is the InChIKey of 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is OOPDZSWGVLWYMJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-8(10-4-2-3-5-13-10)15-20(18,19)9-6-11(12(16)17)14-7-9/h2-8,14-15H,1H3,(H,16,17)/t8-/m1/s1.
What are the key properties of 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 295.32 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 81400706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).