(2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine

C22H21NO3S2 — CID 983220

IUPAC(2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
SMILESO=S(=O)(c1ccccc1)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H21NO3S2/c24-28(25,21-9-5-2-6-10-21)23-15-16-27-22(23)19-11-13-20(14-12-19)26-17-18-7-3-1-4-8-18/h1-14,22H,15-17H2/t22-/m1/s1
InChIKeyAWDHSJXUCMFBKP-JOCHJYFZSA-N
MW411.55 g/mol
LogP4.70
Rot. Bonds6

About (2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine

(2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine (PubChem CID 983220) has the molecular formula C22H21NO3S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is (2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name(2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
PubChem CID983220
Molecular FormulaC22H21NO3S2
Molecular Weight411.55 g/mol
Exact Mass411.10
IUPAC Name(2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
SMILESO=S(=O)(c1ccccc1)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H21NO3S2/c24-28(25,21-9-5-2-6-10-21)23-15-16-27-22(23)19-11-13-20(14-12-19)26-17-18-7-3-1-4-8-18/h1-14,22H,15-17H2/t22-/m1/s1
InChIKeyAWDHSJXUCMFBKP-JOCHJYFZSA-N
XLogP4.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
CID 4122599
N-[4-[[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 1026068
3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 3266105
3-(4-tert-butylphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 4052836
3-(benzenesulfonyl)-2-pyridin-4-yl-1,3-thiazolidine
CID 3681206
(2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1354636
3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 3335512
(2R)-3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 716649
2-(4-nitrophenyl)-3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122329683
3-(4-tert-butylphenyl)sulfonyl-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine
CID 3632949
(2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 40837132
3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 3309477

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of (2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine (CID 983220) is (2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for (2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for (2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine is O=S(=O)(c1ccccc1)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine?
The InChIKey is AWDHSJXUCMFBKP-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H21NO3S2/c24-28(25,21-9-5-2-6-10-21)23-15-16-27-22(23)19-11-13-20(14-12-19)26-17-18-7-3-1-4-8-18/h1-14,22H,15-17H2/t22-/m1/s1.
What are the key properties of (2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine?
(2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine has a molecular weight of 411.55 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 983220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).