2-(4-methylphenyl)-5-phenyl-1,3-thiazole-4-sulfonyl chloride

C16H12ClNO2S2 — CID 71668519

IUPAC2-(4-methylphenyl)-5-phenyl-1,3-thiazole-4-sulfonyl chloride
SMILESCc1ccc(-c2nc(S(=O)(=O)Cl)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C16H12ClNO2S2/c1-11-7-9-13(10-8-11)15-18-16(22(17,19)20)14(21-15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyOLQPNZULJFKHNQ-UHFFFAOYSA-N
MW349.86 g/mol
LogP4.71
Rot. Bonds3

About 2-(4-methylphenyl)-5-phenyl-1,3-thiazole-4-sulfonyl chloride

2-(4-methylphenyl)-5-phenyl-1,3-thiazole-4-sulfonyl chloride (PubChem CID 71668519) has the molecular formula C16H12ClNO2S2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-phenyl-1,3-thiazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-phenyl-1,3-thiazole-4-sulfonyl chloride
PubChem CID71668519
Molecular FormulaC16H12ClNO2S2
Molecular Weight349.86 g/mol
Exact Mass349.00
IUPAC Name2-(4-methylphenyl)-5-phenyl-1,3-thiazole-4-sulfonyl chloride
SMILESCc1ccc(-c2nc(S(=O)(=O)Cl)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C16H12ClNO2S2/c1-11-7-9-13(10-8-11)15-18-16(22(17,19)20)14(21-15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyOLQPNZULJFKHNQ-UHFFFAOYSA-N
XLogP4.71
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-phenyl-1,3-thiazole-4-sulfonyl chloride?
The IUPAC name of 2-(4-methylphenyl)-5-phenyl-1,3-thiazole-4-sulfonyl chloride (CID 71668519) is 2-(4-methylphenyl)-5-phenyl-1,3-thiazole-4-sulfonyl chloride.
What is the SMILES notation for 2-(4-methylphenyl)-5-phenyl-1,3-thiazole-4-sulfonyl chloride?
The canonical SMILES for 2-(4-methylphenyl)-5-phenyl-1,3-thiazole-4-sulfonyl chloride is Cc1ccc(-c2nc(S(=O)(=O)Cl)c(-c3ccccc3)s2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-phenyl-1,3-thiazole-4-sulfonyl chloride?
The InChIKey is OLQPNZULJFKHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2S2/c1-11-7-9-13(10-8-11)15-18-16(22(17,19)20)14(21-15)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 2-(4-methylphenyl)-5-phenyl-1,3-thiazole-4-sulfonyl chloride?
2-(4-methylphenyl)-5-phenyl-1,3-thiazole-4-sulfonyl chloride has a molecular weight of 349.86 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-phenyl-1,3-thiazole-4-sulfonyl chloride is sourced from PubChem (CID 71668519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).