2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine

C16H16ClNO2S2 — CID 2847064

IUPAC2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCc1ccc(S(=O)(=O)N2CCSC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2S2/c1-12-2-8-15(9-3-12)22(19,20)18-10-11-21-16(18)13-4-6-14(17)7-5-13/h2-9,16H,10-11H2,1H3
InChIKeyILUJHWOOKCFYRV-UHFFFAOYSA-N
MW353.90 g/mol
LogP4.08
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine

2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 2847064) has the molecular formula C16H16ClNO2S2 and a molecular weight of 353.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID2847064
Molecular FormulaC16H16ClNO2S2
Molecular Weight353.90 g/mol
Exact Mass353.03
IUPAC Name2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCc1ccc(S(=O)(=O)N2CCSC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2S2/c1-12-2-8-15(9-3-12)22(19,20)18-10-11-21-16(18)13-4-6-14(17)7-5-13/h2-9,16H,10-11H2,1H3
InChIKeyILUJHWOOKCFYRV-UHFFFAOYSA-N
XLogP4.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1041495
(2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
CID 6991011
2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2858670
N-[4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 654431
N-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 1084396
(2S)-2-(4-chlorophenyl)-3-(4-methyl-3-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 7409650
(2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1111409
4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole
CID 122329632
2-methyl-4-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-1,3-oxazole
CID 122330537
(2S)-2-(3-bromo-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1111374
(2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 852148
(2R)-2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 7574021

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine (CID 2847064) is 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine is Cc1ccc(S(=O)(=O)N2CCSC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is ILUJHWOOKCFYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S2/c1-12-2-8-15(9-3-12)22(19,20)18-10-11-21-16(18)13-4-6-14(17)7-5-13/h2-9,16H,10-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 353.90 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 2847064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).