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

C21H18N2O4S2 — CID 2055915

IUPAC(2S)-2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
SMILESO=[N+]([O-])c1cccc([C@@H]2SCCN2S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C21H18N2O4S2/c24-23(25)19-8-4-7-18(15-19)21-22(13-14-28-21)29(26,27)20-11-9-17(10-12-20)16-5-2-1-3-6-16/h1-12,15,21H,13-14H2/t21-/m0/s1
InChIKeyYVIJKFVDRBZLBN-NRFANRHFSA-N
MW426.52 g/mol
LogP4.70
Rot. Bonds5

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

(2S)-2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 2055915) has the molecular formula C21H18N2O4S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is (2S)-2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID2055915
Molecular FormulaC21H18N2O4S2
Molecular Weight426.52 g/mol
Exact Mass426.07
IUPAC Name(2S)-2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
SMILESO=[N+]([O-])c1cccc([C@@H]2SCCN2S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C21H18N2O4S2/c24-23(25)19-8-4-7-18(15-19)21-22(13-14-28-21)29(26,27)20-11-9-17(10-12-20)16-5-2-1-3-6-16/h1-12,15,21H,13-14H2/t21-/m0/s1
InChIKeyYVIJKFVDRBZLBN-NRFANRHFSA-N
XLogP4.70
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.70
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

2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 2877097
3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
CID 4108920
(2R)-3-(4-ethylphenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
CID 7014424
(2S)-3-(3,4-dichlorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
CID 27548764
(2R)-2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 7574021
2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 23938405
(2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine
CID 1118518
2-(4-nitrophenyl)-3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122329683
2-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 45076749
2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 46498253
(2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 40837132
3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 3309477

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of (2S)-2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine (CID 2055915) is (2S)-2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for (2S)-2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for (2S)-2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine is O=[N+]([O-])c1cccc([C@@H]2SCCN2S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of (2S)-2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is YVIJKFVDRBZLBN-NRFANRHFSA-N. The full InChI is InChI=1S/C21H18N2O4S2/c24-23(25)19-8-4-7-18(15-19)21-22(13-14-28-21)29(26,27)20-11-9-17(10-12-20)16-5-2-1-3-6-16/h1-12,15,21H,13-14H2/t21-/m0/s1.
What are the key properties of (2S)-2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine?
(2S)-2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 426.52 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 2055915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).