2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine

C15H13ClN2O4S2 — CID 46498253

IUPAC2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)N2CCSC2c2ccccc2Cl)c1
InChIInChI=1S/C15H13ClN2O4S2/c16-14-7-2-1-6-13(14)15-17(8-9-23-15)24(21,22)12-5-3-4-11(10-12)18(19)20/h1-7,10,15H,8-9H2
InChIKeyUHCZPJKTINNCMC-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.68
Rot. Bonds4

About 2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine

2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine (PubChem CID 46498253) has the molecular formula C15H13ClN2O4S2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine
PubChem CID46498253
Molecular FormulaC15H13ClN2O4S2
Molecular Weight384.87 g/mol
Exact Mass384.00
IUPAC Name2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)N2CCSC2c2ccccc2Cl)c1
InChIInChI=1S/C15H13ClN2O4S2/c16-14-7-2-1-6-13(14)15-17(8-9-23-15)24(21,22)12-5-3-4-11(10-12)18(19)20/h1-7,10,15H,8-9H2
InChIKeyUHCZPJKTINNCMC-UHFFFAOYSA-N
XLogP3.68
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.68
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

(2S)-3-(3,4-dichlorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
CID 27548764
(2S)-2-(2-chlorophenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine
CID 7014418
2-(2-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine
CID 5143782
(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
2-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 45076749
(2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine
CID 1118518
3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
CID 4108920
N-[4-[[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 1084397
2-(2,4-dichlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 23945588
(2S)-3-(4-butoxyphenyl)sulfonyl-2-(2-chlorophenyl)-1,3-thiazolidine
CID 7157484
(2R)-3-(4-ethylphenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
CID 7014424

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine (CID 46498253) is 2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine is O=[N+]([O-])c1cccc(S(=O)(=O)N2CCSC2c2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is UHCZPJKTINNCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4S2/c16-14-7-2-1-6-13(14)15-17(8-9-23-15)24(21,22)12-5-3-4-11(10-12)18(19)20/h1-7,10,15H,8-9H2.
What are the key properties of 2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine?
2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 384.87 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 46498253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).