(2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine

C16H16BrNO3S2 — CID 7013332

IUPAC(2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(Br)cc1[C@@H]1SCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16BrNO3S2/c1-21-15-8-7-12(17)11-14(15)16-18(9-10-22-16)23(19,20)13-5-3-2-4-6-13/h2-8,11,16H,9-10H2,1H3/t16-/m0/s1
InChIKeyVGPOWWKFTNTGNK-INIZCTEOSA-N
MW414.35 g/mol
LogP3.89
Rot. Bonds4

About (2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine

(2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine (PubChem CID 7013332) has the molecular formula C16H16BrNO3S2 and a molecular weight of 414.35 g/mol. Its IUPAC name is (2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine
PubChem CID7013332
Molecular FormulaC16H16BrNO3S2
Molecular Weight414.35 g/mol
Exact Mass412.98
IUPAC Name(2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(Br)cc1[C@@H]1SCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16BrNO3S2/c1-21-15-8-7-12(17)11-14(15)16-18(9-10-22-16)23(19,20)13-5-3-2-4-6-13/h2-8,11,16H,9-10H2,1H3/t16-/m0/s1
InChIKeyVGPOWWKFTNTGNK-INIZCTEOSA-N
XLogP3.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine
CID 40837331
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
2-(5-bromo-2-methoxyphenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 2859017
2-(5-bromo-2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine
CID 4912988
(2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 1279279
(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
(2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 1362906
(2S)-2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1143477
3-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 3144179

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine?
The IUPAC name of (2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine (CID 7013332) is (2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for (2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for (2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine is COc1ccc(Br)cc1[C@@H]1SCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine?
The InChIKey is VGPOWWKFTNTGNK-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16BrNO3S2/c1-21-15-8-7-12(17)11-14(15)16-18(9-10-22-16)23(19,20)13-5-3-2-4-6-13/h2-8,11,16H,9-10H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine?
(2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine has a molecular weight of 414.35 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 7013332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).