2-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile

C16H13ClN2O2S2 — CID 122329645

IUPAC2-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)N1CCSC1c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2S2/c17-14-7-5-12(6-8-14)16-19(9-10-22-16)23(20,21)15-4-2-1-3-13(15)11-18/h1-8,16H,9-10H2
InChIKeyQQYPWAHGLVARCF-UHFFFAOYSA-N
MW364.88 g/mol
LogP3.65
Rot. Bonds3

About 2-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile

2-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile (PubChem CID 122329645) has the molecular formula C16H13ClN2O2S2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile
PubChem CID122329645
Molecular FormulaC16H13ClN2O2S2
Molecular Weight364.88 g/mol
Exact Mass364.01
IUPAC Name2-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)N1CCSC1c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2S2/c17-14-7-5-12(6-8-14)16-19(9-10-22-16)23(20,21)15-4-2-1-3-13(15)11-18/h1-8,16H,9-10H2
InChIKeyQQYPWAHGLVARCF-UHFFFAOYSA-N
XLogP3.65
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile?
The IUPAC name of 2-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile (CID 122329645) is 2-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile is N#Cc1ccccc1S(=O)(=O)N1CCSC1c1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile?
The InChIKey is QQYPWAHGLVARCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S2/c17-14-7-5-12(6-8-14)16-19(9-10-22-16)23(20,21)15-4-2-1-3-13(15)11-18/h1-8,16H,9-10H2.
What are the key properties of 2-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile?
2-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile has a molecular weight of 364.88 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile is sourced from PubChem (CID 122329645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).