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

C17H18BrNO3S2 — CID 1354636

IUPAC(2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO3S2/c1-2-22-15-7-9-16(10-8-15)24(20,21)19-11-12-23-17(19)13-3-5-14(18)6-4-13/h3-10,17H,2,11-12H2,1H3/t17-/m1/s1
InChIKeyJYAQKFJXIOSXGC-QGZVFWFLSA-N
MW428.37 g/mol
LogP4.28
Rot. Bonds5

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

(2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 1354636) has the molecular formula C17H18BrNO3S2 and a molecular weight of 428.37 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
PubChem CID1354636
Molecular FormulaC17H18BrNO3S2
Molecular Weight428.37 g/mol
Exact Mass426.99
IUPAC Name(2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO3S2/c1-2-22-15-7-9-16(10-8-15)24(20,21)19-11-12-23-17(19)13-3-5-14(18)6-4-13/h3-10,17H,2,11-12H2,1H3/t17-/m1/s1
InChIKeyJYAQKFJXIOSXGC-QGZVFWFLSA-N
XLogP4.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1254845
(2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
CID 6991011
(2R)-2-(4-bromophenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 1104652
3-(4-butoxyphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine
CID 3382694
3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
CID 4122599
3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 3266105
(2S)-2-(3-bromo-4-methoxyphenyl)-3-(4-butoxyphenyl)sulfonyl-1,3-thiazolidine
CID 40837370
2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2858670
(2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
CID 983220
4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline
CID 1373902
(2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1038354
2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 2876838

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of (2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine (CID 1354636) is (2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for (2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine is CCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Br)cc2)cc1.
What is the InChIKey of (2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is JYAQKFJXIOSXGC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18BrNO3S2/c1-2-22-15-7-9-16(10-8-15)24(20,21)19-11-12-23-17(19)13-3-5-14(18)6-4-13/h3-10,17H,2,11-12H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine?
(2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 428.37 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 1354636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).