(2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine

C22H21NO3S2 — CID 1362906

IUPAC(2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccccc1[C@@H]1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21NO3S2/c1-26-21-10-6-5-9-20(21)22-23(15-16-27-22)28(24,25)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-14,22H,15-16H2,1H3/t22-/m0/s1
InChIKeyZLELQFMHEPWTLC-QFIPXVFZSA-N
MW411.55 g/mol
LogP4.80
Rot. Bonds5

About (2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine

(2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 1362906) has the molecular formula C22H21NO3S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is (2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID1362906
Molecular FormulaC22H21NO3S2
Molecular Weight411.55 g/mol
Exact Mass411.10
IUPAC Name(2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccccc1[C@@H]1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21NO3S2/c1-26-21-10-6-5-9-20(21)22-23(15-16-27-22)28(24,25)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-14,22H,15-16H2,1H3/t22-/m0/s1
InChIKeyZLELQFMHEPWTLC-QFIPXVFZSA-N
XLogP4.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 3144179
3-(4-iodophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 3562992
3-(4-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 3302390
2-(2-methoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine
CID 3383864
(2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine
CID 7013332
(2R)-2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1143496
2-(2-methoxyphenyl)-3-naphthalen-1-ylsulfonyl-1,3-thiazolidine
CID 3930922
2-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3144172
(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
3-(4-tert-butylphenyl)sulfonyl-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine
CID 3632949
2-(2,4-dichlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 23945588

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of (2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine (CID 1362906) is (2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for (2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for (2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine is COc1ccccc1[C@@H]1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is ZLELQFMHEPWTLC-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H21NO3S2/c1-26-21-10-6-5-9-20(21)22-23(15-16-27-22)28(24,25)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-14,22H,15-16H2,1H3/t22-/m0/s1.
What are the key properties of (2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine?
(2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 411.55 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 1362906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).