(2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine

C16H15Br2NO3S2 — CID 40837331

IUPAC(2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(Br)cc1[C@@H]1SCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H15Br2NO3S2/c1-22-15-7-4-12(18)10-14(15)16-19(8-9-23-16)24(20,21)13-5-2-11(17)3-6-13/h2-7,10,16H,8-9H2,1H3/t16-/m0/s1
InChIKeyTUSWSHSSEPVMLY-INIZCTEOSA-N
MW493.24 g/mol
LogP4.66
Rot. Bonds4

About (2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine

(2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine (PubChem CID 40837331) has the molecular formula C16H15Br2NO3S2 and a molecular weight of 493.24 g/mol. Its IUPAC name is (2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine
PubChem CID40837331
Molecular FormulaC16H15Br2NO3S2
Molecular Weight493.24 g/mol
Exact Mass490.89
IUPAC Name(2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(Br)cc1[C@@H]1SCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H15Br2NO3S2/c1-22-15-7-4-12(18)10-14(15)16-19(8-9-23-16)24(20,21)13-5-2-11(17)3-6-13/h2-7,10,16H,8-9H2,1H3/t16-/m0/s1
InChIKeyTUSWSHSSEPVMLY-INIZCTEOSA-N
XLogP4.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.24
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)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

2-(5-bromo-2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3785998
2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
CID 3123287
(2R)-2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
CID 1111423
(2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine
CID 7013332
(2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 1279279
2-(5-bromo-2-methoxyphenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 2859017
(2R)-2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1143496
4-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-2-methyl-1,3-oxazole
CID 122330205
2-(5-bromo-2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine
CID 4912988
2-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3144172
(2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
CID 1143484
(2S)-3-(4-bromophenyl)sulfonyl-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
CID 1125781

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of (2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine (CID 40837331) is (2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for (2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for (2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine is COc1ccc(Br)cc1[C@@H]1SCCN1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of (2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is TUSWSHSSEPVMLY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15Br2NO3S2/c1-22-15-7-4-12(18)10-14(15)16-19(8-9-23-16)24(20,21)13-5-2-11(17)3-6-13/h2-7,10,16H,8-9H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine?
(2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 493.24 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 40837331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).