5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole

C10H8ClNO2S2 — CID 123539989

IUPAC5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole
SMILESO=S(=O)(Cc1ccccc1Cl)c1cncs1
InChIInChI=1S/C10H8ClNO2S2/c11-9-4-2-1-3-8(9)6-16(13,14)10-5-12-7-15-10/h1-5,7H,6H2
InChIKeyINRQGCVFIMFDGF-UHFFFAOYSA-N
MW273.77 g/mol
LogP2.77
Rot. Bonds3

About 5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole

5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole (PubChem CID 123539989) has the molecular formula C10H8ClNO2S2 and a molecular weight of 273.77 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole
PubChem CID123539989
Molecular FormulaC10H8ClNO2S2
Molecular Weight273.77 g/mol
Exact Mass272.97
IUPAC Name5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole
SMILESO=S(=O)(Cc1ccccc1Cl)c1cncs1
InChIInChI=1S/C10H8ClNO2S2/c11-9-4-2-1-3-8(9)6-16(13,14)10-5-12-7-15-10/h1-5,7H,6H2
InChIKeyINRQGCVFIMFDGF-UHFFFAOYSA-N
XLogP2.77
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole?
The IUPAC name of 5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole (CID 123539989) is 5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole.
What is the SMILES notation for 5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole?
The canonical SMILES for 5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole is O=S(=O)(Cc1ccccc1Cl)c1cncs1.
What is the InChIKey of 5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole?
The InChIKey is INRQGCVFIMFDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2S2/c11-9-4-2-1-3-8(9)6-16(13,14)10-5-12-7-15-10/h1-5,7H,6H2.
What are the key properties of 5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole?
5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole has a molecular weight of 273.77 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole is sourced from PubChem (CID 123539989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).