2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-chlorophenyl)sulfonylacetamide

C18H14Cl2N2O3S2 — CID 11554000

IUPAC2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-chlorophenyl)sulfonylacetamide
SMILESCc1nc(-c2ccc(Cl)cc2)c(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C18H14Cl2N2O3S2/c1-11-21-18(12-2-4-13(19)5-3-12)16(26-11)10-17(23)22-27(24,25)15-8-6-14(20)7-9-15/h2-9H,10H2,1H3,(H,22,23)
InChIKeyWZJSKWZVXMUCKF-UHFFFAOYSA-N
MW441.36 g/mol
LogP4.47
Rot. Bonds5

About 2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-chlorophenyl)sulfonylacetamide

2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-chlorophenyl)sulfonylacetamide (PubChem CID 11554000) has the molecular formula C18H14Cl2N2O3S2 and a molecular weight of 441.36 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-chlorophenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-chlorophenyl)sulfonylacetamide
PubChem CID11554000
Molecular FormulaC18H14Cl2N2O3S2
Molecular Weight441.36 g/mol
Exact Mass439.98
IUPAC Name2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-chlorophenyl)sulfonylacetamide
SMILESCc1nc(-c2ccc(Cl)cc2)c(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C18H14Cl2N2O3S2/c1-11-21-18(12-2-4-13(19)5-3-12)16(26-11)10-17(23)22-27(24,25)15-8-6-14(20)7-9-15/h2-9H,10H2,1H3,(H,22,23)
InChIKeyWZJSKWZVXMUCKF-UHFFFAOYSA-N
XLogP4.47
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-chlorophenyl)sulfonylacetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-chlorophenyl)sulfonylacetamide (CID 11554000) is 2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-chlorophenyl)sulfonylacetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-chlorophenyl)sulfonylacetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-chlorophenyl)sulfonylacetamide is Cc1nc(-c2ccc(Cl)cc2)c(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-chlorophenyl)sulfonylacetamide?
The InChIKey is WZJSKWZVXMUCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3S2/c1-11-21-18(12-2-4-13(19)5-3-12)16(26-11)10-17(23)22-27(24,25)15-8-6-14(20)7-9-15/h2-9H,10H2,1H3,(H,22,23).
What are the key properties of 2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-chlorophenyl)sulfonylacetamide?
2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-chlorophenyl)sulfonylacetamide has a molecular weight of 441.36 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-chlorophenyl)sulfonylacetamide is sourced from PubChem (CID 11554000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).