3-(benzenesulfonyl)-2-pyridin-4-yl-1,3-thiazolidine

C14H14N2O2S2 — CID 3681206

IUPAC3-(benzenesulfonyl)-2-pyridin-4-yl-1,3-thiazolidine
SMILESO=S(=O)(c1ccccc1)N1CCSC1c1ccncc1
InChIInChI=1S/C14H14N2O2S2/c17-20(18,13-4-2-1-3-5-13)16-10-11-19-14(16)12-6-8-15-9-7-12/h1-9,14H,10-11H2
InChIKeyZUOMSDBIMVSTNT-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.52
Rot. Bonds3

About 3-(benzenesulfonyl)-2-pyridin-4-yl-1,3-thiazolidine

3-(benzenesulfonyl)-2-pyridin-4-yl-1,3-thiazolidine (PubChem CID 3681206) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-pyridin-4-yl-1,3-thiazolidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-pyridin-4-yl-1,3-thiazolidine
PubChem CID3681206
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC Name3-(benzenesulfonyl)-2-pyridin-4-yl-1,3-thiazolidine
SMILESO=S(=O)(c1ccccc1)N1CCSC1c1ccncc1
InChIInChI=1S/C14H14N2O2S2/c17-20(18,13-4-2-1-3-5-13)16-10-11-19-14(16)12-6-8-15-9-7-12/h1-9,14H,10-11H2
InChIKeyZUOMSDBIMVSTNT-UHFFFAOYSA-N
XLogP2.52
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 3309477
(2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 40837132
3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 3335512
(2R)-3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 716649
(2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
CID 983220
3-naphthalen-2-ylsulfonyl-2-phenyl-1,3-thiazolidine
CID 2848104
(2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine
CID 1118518
3-(9H-fluoren-3-ylsulfonyl)-2-phenyl-1,3-thiazolidine
CID 11842232
(2R)-2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 7574021
2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 23938405
2-(3,4-dimethoxyphenyl)-3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122345675
2-(4-nitrophenyl)-3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122329683

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-pyridin-4-yl-1,3-thiazolidine?
The IUPAC name of 3-(benzenesulfonyl)-2-pyridin-4-yl-1,3-thiazolidine (CID 3681206) is 3-(benzenesulfonyl)-2-pyridin-4-yl-1,3-thiazolidine.
What is the SMILES notation for 3-(benzenesulfonyl)-2-pyridin-4-yl-1,3-thiazolidine?
The canonical SMILES for 3-(benzenesulfonyl)-2-pyridin-4-yl-1,3-thiazolidine is O=S(=O)(c1ccccc1)N1CCSC1c1ccncc1.
What is the InChIKey of 3-(benzenesulfonyl)-2-pyridin-4-yl-1,3-thiazolidine?
The InChIKey is ZUOMSDBIMVSTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c17-20(18,13-4-2-1-3-5-13)16-10-11-19-14(16)12-6-8-15-9-7-12/h1-9,14H,10-11H2.
What are the key properties of 3-(benzenesulfonyl)-2-pyridin-4-yl-1,3-thiazolidine?
3-(benzenesulfonyl)-2-pyridin-4-yl-1,3-thiazolidine has a molecular weight of 306.41 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-pyridin-4-yl-1,3-thiazolidine is sourced from PubChem (CID 3681206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).