2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole

C14H15ClN2O2S2 — CID 110750424

IUPAC2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)N2CCCC2c2nccs2)cc1Cl
InChIInChI=1S/C14H15ClN2O2S2/c1-10-4-5-11(9-12(10)15)21(18,19)17-7-2-3-13(17)14-16-6-8-20-14/h4-6,8-9,13H,2-3,7H2,1H3
InChIKeyYPGSJBNGSHSEEM-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.63
Rot. Bonds3

About 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole

2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole (PubChem CID 110750424) has the molecular formula C14H15ClN2O2S2 and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole
PubChem CID110750424
Molecular FormulaC14H15ClN2O2S2
Molecular Weight342.87 g/mol
Exact Mass342.03
IUPAC Name2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)N2CCCC2c2nccs2)cc1Cl
InChIInChI=1S/C14H15ClN2O2S2/c1-10-4-5-11(9-12(10)15)21(18,19)17-7-2-3-13(17)14-16-6-8-20-14/h4-6,8-9,13H,2-3,7H2,1H3
InChIKeyYPGSJBNGSHSEEM-UHFFFAOYSA-N
XLogP3.63
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 110750444
2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole
CID 110750417
5-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53206219
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
1-(3,4-dimethylphenyl)sulfonyl-2-(3-methylthiophen-2-yl)azepane
CID 22586818
2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627728
5-[(2R)-1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 95071626
4-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 16768930
2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile
CID 94025265
2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole
CID 124562567
4-[4-[5-[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1,3,4-thiadiazol-2-yl]butyl]-N,N-dimethylaniline
CID 10119624
N-(4-chlorophenyl)-5-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53072687

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole (CID 110750424) is 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole is Cc1ccc(S(=O)(=O)N2CCCC2c2nccs2)cc1Cl.
What is the InChIKey of 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is YPGSJBNGSHSEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S2/c1-10-4-5-11(9-12(10)15)21(18,19)17-7-2-3-13(17)14-16-6-8-20-14/h4-6,8-9,13H,2-3,7H2,1H3.
What are the key properties of 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole?
2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 342.87 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 110750424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).