5-(4-chlorophenyl)sulfonyl-1,3-thiazole

C9H6ClNO2S2 — CID 141085747

IUPAC5-(4-chlorophenyl)sulfonyl-1,3-thiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1cncs1
InChIInChI=1S/C9H6ClNO2S2/c10-7-1-3-8(4-2-7)15(12,13)9-5-11-6-14-9/h1-6H
InChIKeyAJWFLTOMNUBLBV-UHFFFAOYSA-N
MW259.74 g/mol
LogP2.63
Rot. Bonds2

About 5-(4-chlorophenyl)sulfonyl-1,3-thiazole

5-(4-chlorophenyl)sulfonyl-1,3-thiazole (PubChem CID 141085747) has the molecular formula C9H6ClNO2S2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-1,3-thiazole
PubChem CID141085747
Molecular FormulaC9H6ClNO2S2
Molecular Weight259.74 g/mol
Exact Mass258.95
IUPAC Name5-(4-chlorophenyl)sulfonyl-1,3-thiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1cncs1
InChIInChI=1S/C9H6ClNO2S2/c10-7-1-3-8(4-2-7)15(12,13)9-5-11-6-14-9/h1-6H
InChIKeyAJWFLTOMNUBLBV-UHFFFAOYSA-N
XLogP2.63
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-1,3-thiazole?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-1,3-thiazole (CID 141085747) is 5-(4-chlorophenyl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-1,3-thiazole?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-1,3-thiazole is O=S(=O)(c1ccc(Cl)cc1)c1cncs1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-1,3-thiazole?
The InChIKey is AJWFLTOMNUBLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2S2/c10-7-1-3-8(4-2-7)15(12,13)9-5-11-6-14-9/h1-6H.
What are the key properties of 5-(4-chlorophenyl)sulfonyl-1,3-thiazole?
5-(4-chlorophenyl)sulfonyl-1,3-thiazole has a molecular weight of 259.74 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 141085747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).