(2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine

C15H14INO2S2 — CID 40837132

IUPAC(2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine
SMILESO=S(=O)(c1ccc(I)cc1)N1CCS[C@H]1c1ccccc1
InChIInChI=1S/C15H14INO2S2/c16-13-6-8-14(9-7-13)21(18,19)17-10-11-20-15(17)12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m0/s1
InChIKeyPMMCUNXLKJUCMK-HNNXBMFYSA-N
MW431.32 g/mol
LogP3.73
Rot. Bonds3

About (2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine

(2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine (PubChem CID 40837132) has the molecular formula C15H14INO2S2 and a molecular weight of 431.32 g/mol. Its IUPAC name is (2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine
PubChem CID40837132
Molecular FormulaC15H14INO2S2
Molecular Weight431.32 g/mol
Exact Mass430.95
IUPAC Name(2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine
SMILESO=S(=O)(c1ccc(I)cc1)N1CCS[C@H]1c1ccccc1
InChIInChI=1S/C15H14INO2S2/c16-13-6-8-14(9-7-13)21(18,19)17-10-11-20-15(17)12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m0/s1
InChIKeyPMMCUNXLKJUCMK-HNNXBMFYSA-N
XLogP3.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 3309477
(2S)-2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine
CID 41316900
(2R)-2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine
CID 41316899
3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 3335512
(2R)-3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 716649
2-(2-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine
CID 5143782
3-naphthalen-2-ylsulfonyl-2-phenyl-1,3-thiazolidine
CID 2848104
3-(benzenesulfonyl)-2-pyridin-4-yl-1,3-thiazolidine
CID 3681206
3-(4-iodophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 3562992
3-(9H-fluoren-3-ylsulfonyl)-2-phenyl-1,3-thiazolidine
CID 11842232
2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 23938405
(2R)-2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 7574021

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine?
The IUPAC name of (2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine (CID 40837132) is (2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine.
What is the SMILES notation for (2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine?
The canonical SMILES for (2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine is O=S(=O)(c1ccc(I)cc1)N1CCS[C@H]1c1ccccc1.
What is the InChIKey of (2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine?
The InChIKey is PMMCUNXLKJUCMK-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H14INO2S2/c16-13-6-8-14(9-7-13)21(18,19)17-10-11-20-15(17)12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m0/s1.
What are the key properties of (2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine?
(2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine has a molecular weight of 431.32 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine is sourced from PubChem (CID 40837132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).