2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole

C14H16ClN3O2S — CID 110104553

IUPAC2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
SMILESCc1cnc(C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C14H16ClN3O2S/c1-10-9-16-14(17-10)13-3-2-8-18(13)21(19,20)12-6-4-11(15)5-7-12/h4-7,9,13H,2-3,8H2,1H3,(H,16,17)
InChIKeyKJEVJEJGJLEWBP-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.90
Rot. Bonds3

About 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole

2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole (PubChem CID 110104553) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
PubChem CID110104553
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
SMILESCc1cnc(C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C14H16ClN3O2S/c1-10-9-16-14(17-10)13-3-2-8-18(13)21(19,20)12-6-4-11(15)5-7-12/h4-7,9,13H,2-3,8H2,1H3,(H,16,17)
InChIKeyKJEVJEJGJLEWBP-UHFFFAOYSA-N
XLogP2.90
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole 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

2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 110104512
4-(4-chlorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)morpholine
CID 110105562
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 124976182
5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole
CID 124999412
1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 124961579
5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole
CID 110104284
4-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,5-dimethylpyrazole
CID 100667905
4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylmorpholine
CID 110104420
5-[5-[(2R)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole
CID 136860513
(2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
CID 51856609
1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine
CID 24511415
(3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124953145

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole (CID 110104553) is 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole is Cc1cnc(C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole?
The InChIKey is KJEVJEJGJLEWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-10-9-16-14(17-10)13-3-2-8-18(13)21(19,20)12-6-4-11(15)5-7-12/h4-7,9,13H,2-3,8H2,1H3,(H,16,17).
What are the key properties of 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole?
2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole has a molecular weight of 325.82 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole is sourced from PubChem (CID 110104553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).