5-(4-chlorophenyl)sulfanyl-3-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-one

C17H14ClNO3S3 — CID 3473271

IUPAC5-(4-chlorophenyl)sulfanyl-3-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-one
SMILESCc1ccc(S(=O)(=O)c2c(Sc3ccc(Cl)cc3)sc(=O)n2C)cc1
InChIInChI=1S/C17H14ClNO3S3/c1-11-3-9-14(10-4-11)25(21,22)15-16(24-17(20)19(15)2)23-13-7-5-12(18)6-8-13/h3-10H,1-2H3
InChIKeyVEKDRKJXHWURLG-UHFFFAOYSA-N
MW411.96 g/mol
LogP4.39
Rot. Bonds4

About 5-(4-chlorophenyl)sulfanyl-3-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-one

5-(4-chlorophenyl)sulfanyl-3-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-one (PubChem CID 3473271) has the molecular formula C17H14ClNO3S3 and a molecular weight of 411.96 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfanyl-3-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfanyl-3-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-one
PubChem CID3473271
Molecular FormulaC17H14ClNO3S3
Molecular Weight411.96 g/mol
Exact Mass410.98
IUPAC Name5-(4-chlorophenyl)sulfanyl-3-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-one
SMILESCc1ccc(S(=O)(=O)c2c(Sc3ccc(Cl)cc3)sc(=O)n2C)cc1
InChIInChI=1S/C17H14ClNO3S3/c1-11-3-9-14(10-4-11)25(21,22)15-16(24-17(20)19(15)2)23-13-7-5-12(18)6-8-13/h3-10H,1-2H3
InChIKeyVEKDRKJXHWURLG-UHFFFAOYSA-N
XLogP4.39
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfanyl-3-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-one?
The IUPAC name of 5-(4-chlorophenyl)sulfanyl-3-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-one (CID 3473271) is 5-(4-chlorophenyl)sulfanyl-3-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-one.
What is the SMILES notation for 5-(4-chlorophenyl)sulfanyl-3-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-one?
The canonical SMILES for 5-(4-chlorophenyl)sulfanyl-3-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-one is Cc1ccc(S(=O)(=O)c2c(Sc3ccc(Cl)cc3)sc(=O)n2C)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfanyl-3-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-one?
The InChIKey is VEKDRKJXHWURLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3S3/c1-11-3-9-14(10-4-11)25(21,22)15-16(24-17(20)19(15)2)23-13-7-5-12(18)6-8-13/h3-10H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)sulfanyl-3-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-one?
5-(4-chlorophenyl)sulfanyl-3-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-one has a molecular weight of 411.96 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfanyl-3-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-one is sourced from PubChem (CID 3473271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).