1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid

C13H15N3O4S — CID 107498018

IUPAC1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)NCCn2cnc(C(=O)O)c2)cc1
InChIInChI=1S/C13H15N3O4S/c1-10-2-4-11(5-3-10)21(19,20)15-6-7-16-8-12(13(17)18)14-9-16/h2-5,8-9,15H,6-7H2,1H3,(H,17,18)
InChIKeyYJYVQQFOUMKQGI-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.87
Rot. Bonds6

About 1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid

1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107498018) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid
PubChem CID107498018
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)NCCn2cnc(C(=O)O)c2)cc1
InChIInChI=1S/C13H15N3O4S/c1-10-2-4-11(5-3-10)21(19,20)15-6-7-16-8-12(13(17)18)14-9-16/h2-5,8-9,15H,6-7H2,1H3,(H,17,18)
InChIKeyYJYVQQFOUMKQGI-UHFFFAOYSA-N
XLogP0.87
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-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

1-[2-[(4-bromophenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid
CID 107497958
1-[2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]ethyl]imidazole-4-carboxylic acid
CID 107497791
1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid
CID 26967023
1-(3,3-difluorobutyl)-N-(4-methylphenyl)sulfonylimidazole-4-carboxamide;ethane
CID 142342430
1-[2-(4-methyl-2-nitroanilino)ethyl]imidazole-4-carboxylic acid
CID 107498350
1-[2-[(2-methyl-2-methylsulfonylpropanoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496490
1-[2-(propylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496584
1-[2-(2-methylbutanoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496695
1-[2-[(2,6-dihydroxybenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107688299
4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
CID 15668303
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 86768049
4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120704399

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid (CID 107498018) is 1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid is Cc1ccc(S(=O)(=O)NCCn2cnc(C(=O)O)c2)cc1.
What is the InChIKey of 1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is YJYVQQFOUMKQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-10-2-4-11(5-3-10)21(19,20)15-6-7-16-8-12(13(17)18)14-9-16/h2-5,8-9,15H,6-7H2,1H3,(H,17,18).
What are the key properties of 1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid?
1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 309.35 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107498018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).