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

C18H20BrNO4S2 — CID 1254845

IUPAC(2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C18H20BrNO4S2/c1-3-24-14-5-7-15(8-6-14)26(21,22)20-10-11-25-18(20)13-4-9-17(23-2)16(19)12-13/h4-9,12,18H,3,10-11H2,1-2H3/t18-/m1/s1
InChIKeyYHXGJVQXDQHICT-GOSISDBHSA-N
MW458.40 g/mol
LogP4.29
Rot. Bonds6

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

(2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 1254845) has the molecular formula C18H20BrNO4S2 and a molecular weight of 458.40 g/mol. Its IUPAC name is (2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name(2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
PubChem CID1254845
Molecular FormulaC18H20BrNO4S2
Molecular Weight458.40 g/mol
Exact Mass457.00
IUPAC Name(2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C18H20BrNO4S2/c1-3-24-14-5-7-15(8-6-14)26(21,22)20-10-11-25-18(20)13-4-9-17(23-2)16(19)12-13/h4-9,12,18H,3,10-11H2,1-2H3/t18-/m1/s1
InChIKeyYHXGJVQXDQHICT-GOSISDBHSA-N
XLogP4.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3-bromo-4-methoxyphenyl)-3-(4-butoxyphenyl)sulfonyl-1,3-thiazolidine
CID 40837370
(2S)-2-(3-bromo-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1111374
2-(3-bromo-4-methoxyphenyl)-3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122329866
(2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine
CID 98128921
(2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1354636
(2S)-2-(3-bromo-4-methoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1247727
(2R)-2-(3-bromo-4-methoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1247730
(2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1111409
2-(3,4-dimethoxyphenyl)-3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122345675
(2S)-3-(4-bromophenyl)sulfonyl-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
CID 1125781
3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 3266105
6-[[2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 122329994

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of (2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine (CID 1254845) is (2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for (2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for (2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine is CCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(OC)c(Br)c2)cc1.
What is the InChIKey of (2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is YHXGJVQXDQHICT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20BrNO4S2/c1-3-24-14-5-7-15(8-6-14)26(21,22)20-10-11-25-18(20)13-4-9-17(23-2)16(19)12-13/h4-9,12,18H,3,10-11H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine?
(2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 458.40 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 1254845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).