3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine

C16H15Cl2NO3S2 — CID 3640975

IUPAC3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(C2SCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H15Cl2NO3S2/c1-22-12-4-2-11(3-5-12)16-19(8-9-23-16)24(20,21)13-6-7-14(17)15(18)10-13/h2-7,10,16H,8-9H2,1H3
InChIKeyLKTNULOUSFOSFB-UHFFFAOYSA-N
MW404.34 g/mol
LogP4.44
Rot. Bonds4

About 3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine

3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine (PubChem CID 3640975) has the molecular formula C16H15Cl2NO3S2 and a molecular weight of 404.34 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine
PubChem CID3640975
Molecular FormulaC16H15Cl2NO3S2
Molecular Weight404.34 g/mol
Exact Mass402.99
IUPAC Name3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(C2SCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H15Cl2NO3S2/c1-22-12-4-2-11(3-5-12)16-19(8-9-23-16)24(20,21)13-6-7-14(17)15(18)10-13/h2-7,10,16H,8-9H2,1H3
InChIKeyLKTNULOUSFOSFB-UHFFFAOYSA-N
XLogP4.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2858670
4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline
CID 1373902
(2S)-2-(3,4-dimethoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine
CID 1111413
(2S)-3-(3,4-dichlorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
CID 27548764
(2R)-2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1143496
2-(3,4-dimethoxyphenyl)-3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122345675
(2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1111409
(2R)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1041495
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2847064
3-naphthalen-2-ylsulfonyl-2-phenyl-1,3-thiazolidine
CID 2848104
(2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
CID 1143484
(2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine
CID 1118518

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine (CID 3640975) is 3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine is COc1ccc(C2SCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine?
The InChIKey is LKTNULOUSFOSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3S2/c1-22-12-4-2-11(3-5-12)16-19(8-9-23-16)24(20,21)13-6-7-14(17)15(18)10-13/h2-7,10,16H,8-9H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine?
3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine has a molecular weight of 404.34 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 3640975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).