(2R)-2-(4-bromophenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine

C15H13BrN2O4S2 — CID 1104652

IUPAC(2R)-2-(4-bromophenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13BrN2O4S2/c16-12-3-1-11(2-4-12)15-17(9-10-23-15)24(21,22)14-7-5-13(6-8-14)18(19)20/h1-8,15H,9-10H2/t15-/m1/s1
InChIKeyXBPGUURRELRASO-OAHLLOKOSA-N
MW429.32 g/mol
LogP3.79
Rot. Bonds4

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

(2R)-2-(4-bromophenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine (PubChem CID 1104652) has the molecular formula C15H13BrN2O4S2 and a molecular weight of 429.32 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine
PubChem CID1104652
Molecular FormulaC15H13BrN2O4S2
Molecular Weight429.32 g/mol
Exact Mass427.95
IUPAC Name(2R)-2-(4-bromophenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13BrN2O4S2/c16-12-3-1-11(2-4-12)15-17(9-10-23-15)24(21,22)14-7-5-13(6-8-14)18(19)20/h1-8,15H,9-10H2/t15-/m1/s1
InChIKeyXBPGUURRELRASO-OAHLLOKOSA-N
XLogP3.79
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 53.79
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'}

Analyze (2R)-2-(4-bromophenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile
CID 122329815
(2S)-3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine
CID 7014423
3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine
CID 3616314
(2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
CID 6991011
2-(4-nitrophenyl)-3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122329683
(2S)-2-(4-bromophenyl)-3-(4-methyl-3-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 41057025
3-(4-butoxyphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine
CID 3382694
(2S)-3-(4-bromophenyl)sulfonyl-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
CID 1125781
2-(5-bromo-2-methoxyphenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 2859017
(2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1354636
2-(4-nitrophenyl)-3-(3,3,3-trifluoropropylsulfonyl)-1,3-thiazolidine
CID 122329799
3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
CID 4108920

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of (2R)-2-(4-bromophenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine (CID 1104652) is (2R)-2-(4-bromophenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for (2R)-2-(4-bromophenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine is O=[N+]([O-])c1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Br)cc2)cc1.
What is the InChIKey of (2R)-2-(4-bromophenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is XBPGUURRELRASO-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H13BrN2O4S2/c16-12-3-1-11(2-4-12)15-17(9-10-23-15)24(21,22)14-7-5-13(6-8-14)18(19)20/h1-8,15H,9-10H2/t15-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine?
(2R)-2-(4-bromophenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 429.32 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 1104652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).