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

C15H13BrClNO2S2 — CID 6991011

IUPAC(2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCS[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C15H13BrClNO2S2/c16-12-3-1-11(2-4-12)15-18(9-10-21-15)22(19,20)14-7-5-13(17)6-8-14/h1-8,15H,9-10H2/t15-/m1/s1
InChIKeyJAENHLNTZBRIQH-OAHLLOKOSA-N
MW418.77 g/mol
LogP4.54
Rot. Bonds3

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

(2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine (PubChem CID 6991011) has the molecular formula C15H13BrClNO2S2 and a molecular weight of 418.77 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
PubChem CID6991011
Molecular FormulaC15H13BrClNO2S2
Molecular Weight418.77 g/mol
Exact Mass416.93
IUPAC Name(2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCS[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C15H13BrClNO2S2/c16-12-3-1-11(2-4-12)15-18(9-10-21-15)22(19,20)14-7-5-13(17)6-8-14/h1-8,15H,9-10H2/t15-/m1/s1
InChIKeyJAENHLNTZBRIQH-OAHLLOKOSA-N
XLogP4.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.77
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1041495
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2847064
(2R)-2-(4-bromophenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 1104652
N-[4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 654431
(2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1354636
4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole
CID 122329632
(2R)-2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
CID 1111423
2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
CID 3123287
(2S)-2-(4-chlorophenyl)-3-(4-methyl-3-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 7409650
(2S)-2-(4-bromophenyl)-3-(4-methyl-3-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 41057025
(2S)-3-(4-bromophenyl)sulfonyl-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
CID 1125781
(2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 40837132

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of (2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine (CID 6991011) is (2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for (2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine is O=S(=O)(c1ccc(Cl)cc1)N1CCS[C@@H]1c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is JAENHLNTZBRIQH-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H13BrClNO2S2/c16-12-3-1-11(2-4-12)15-18(9-10-21-15)22(19,20)14-7-5-13(17)6-8-14/h1-8,15H,9-10H2/t15-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine?
(2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 418.77 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 6991011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).