3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine

C15H13FN2O4S2 — CID 4108920

IUPAC3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
SMILESO=[N+]([O-])c1cccc(C2SCCN2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H13FN2O4S2/c16-12-4-6-14(7-5-12)24(21,22)17-8-9-23-15(17)11-2-1-3-13(10-11)18(19)20/h1-7,10,15H,8-9H2
InChIKeyVIBAMNZQLRTBMU-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.17
Rot. Bonds4

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

3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine (PubChem CID 4108920) has the molecular formula C15H13FN2O4S2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
PubChem CID4108920
Molecular FormulaC15H13FN2O4S2
Molecular Weight368.41 g/mol
Exact Mass368.03
IUPAC Name3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
SMILESO=[N+]([O-])c1cccc(C2SCCN2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H13FN2O4S2/c16-12-4-6-14(7-5-12)24(21,22)17-8-9-23-15(17)11-2-1-3-13(10-11)18(19)20/h1-7,10,15H,8-9H2
InChIKeyVIBAMNZQLRTBMU-UHFFFAOYSA-N
XLogP3.17
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.17
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)-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
(2S)-3-(3,4-dichlorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
CID 27548764
2-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 45076749
(2R)-2-(4-bromophenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 1104652
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-(3-chlorophenyl)-3-(4-methyl-3,5-dinitrophenyl)sulfonyl-1,3-thiazolidine
CID 45076759
4-[[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile
CID 122329815
2-(4-nitrophenyl)-3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122329683
(2S)-3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine
CID 7014423

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine (CID 4108920) is 3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine is O=[N+]([O-])c1cccc(C2SCCN2S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine?
The InChIKey is VIBAMNZQLRTBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4S2/c16-12-4-6-14(7-5-12)24(21,22)17-8-9-23-15(17)11-2-1-3-13(10-11)18(19)20/h1-7,10,15H,8-9H2.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine?
3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine has a molecular weight of 368.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine is sourced from PubChem (CID 4108920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).