(2S)-3-(3,4-dichlorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine

C15H12Cl2N2O4S2 — CID 27548764

IUPAC(2S)-3-(3,4-dichlorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
SMILESO=[N+]([O-])c1cccc([C@@H]2SCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H12Cl2N2O4S2/c16-13-5-4-12(9-14(13)17)25(22,23)18-6-7-24-15(18)10-2-1-3-11(8-10)19(20)21/h1-5,8-9,15H,6-7H2/t15-/m0/s1
InChIKeyPDDBTMXCOQQIDI-HNNXBMFYSA-N
MW419.31 g/mol
LogP4.34
Rot. Bonds4

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

(2S)-3-(3,4-dichlorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine (PubChem CID 27548764) has the molecular formula C15H12Cl2N2O4S2 and a molecular weight of 419.31 g/mol. Its IUPAC name is (2S)-3-(3,4-dichlorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-3-(3,4-dichlorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
PubChem CID27548764
Molecular FormulaC15H12Cl2N2O4S2
Molecular Weight419.31 g/mol
Exact Mass417.96
IUPAC Name(2S)-3-(3,4-dichlorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
SMILESO=[N+]([O-])c1cccc([C@@H]2SCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H12Cl2N2O4S2/c16-13-5-4-12(9-14(13)17)25(22,23)18-6-7-24-15(18)10-2-1-3-11(8-10)19(20)21/h1-5,8-9,15H,6-7H2/t15-/m0/s1
InChIKeyPDDBTMXCOQQIDI-HNNXBMFYSA-N
XLogP4.34
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
CID 4108920
(2S)-2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 2055915
2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 2877097
(2R)-3-(4-ethylphenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
CID 7014424
2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 46498253
(2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine
CID 1118518
2-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 45076749
2-(3-chlorophenyl)-3-(4-methyl-3,5-dinitrophenyl)sulfonyl-1,3-thiazolidine
CID 45076759
3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine
CID 3640975
(2R)-2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine
CID 41316899
2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 23938405
(2S)-2-(4-chlorophenyl)-3-(4-methyl-3-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 7409650

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3,4-dichlorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine?
The IUPAC name of (2S)-3-(3,4-dichlorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine (CID 27548764) is (2S)-3-(3,4-dichlorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine.
What is the SMILES notation for (2S)-3-(3,4-dichlorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine?
The canonical SMILES for (2S)-3-(3,4-dichlorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine is O=[N+]([O-])c1cccc([C@@H]2SCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of (2S)-3-(3,4-dichlorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine?
The InChIKey is PDDBTMXCOQQIDI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4S2/c16-13-5-4-12(9-14(13)17)25(22,23)18-6-7-24-15(18)10-2-1-3-11(8-10)19(20)21/h1-5,8-9,15H,6-7H2/t15-/m0/s1.
What are the key properties of (2S)-3-(3,4-dichlorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine?
(2S)-3-(3,4-dichlorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine has a molecular weight of 419.31 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3,4-dichlorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine is sourced from PubChem (CID 27548764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).