4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazole

C16H11Cl2NO2S2 — CID 2743735

IUPAC4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazole
SMILESO=S(=O)(Cc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl2NO2S2/c17-12-3-1-11(2-4-12)15-9-22-16(19-15)10-23(20,21)14-7-5-13(18)6-8-14/h1-9H,10H2
InChIKeyQOWUNAIQJZWIIJ-UHFFFAOYSA-N
MW384.31 g/mol
LogP5.09
Rot. Bonds4

About 4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazole

4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazole (PubChem CID 2743735) has the molecular formula C16H11Cl2NO2S2 and a molecular weight of 384.31 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazole
PubChem CID2743735
Molecular FormulaC16H11Cl2NO2S2
Molecular Weight384.31 g/mol
Exact Mass382.96
IUPAC Name4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazole
SMILESO=S(=O)(Cc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl2NO2S2/c17-12-3-1-11(2-4-12)15-9-22-16(19-15)10-23(20,21)14-7-5-13(18)6-8-14/h1-9H,10H2
InChIKeyQOWUNAIQJZWIIJ-UHFFFAOYSA-N
XLogP5.09
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.31
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole
CID 610297
4-(4-Chlorophenyl)-2-methyl-1,3-thiazole
CID 698890
[4-(4-Chloro-phenyl)-thiazol-2-yl]-cyclopentylidene-acetonitrile
CID 742475
2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]ethanethioamide
CID 2350672
2-(4-Chloro-phenyl)-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-thiazole
CID 10433546
N-[4-(4-Chloro-phenyl)-thiazol-2-yl]-4-methyl-benzenesulfonamide
CID 10666499
4-[4-(4-Chloro-phenyl)-2-methyl-thiazol-5-yl]-benzenesulfonamide
CID 44271312
4-[5-(4-Chloro-phenyl)-2-methyl-thiazol-4-yl]-benzenesulfonamide
CID 44271388
2-[4-(4-Chlorophenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamide, 2b
CID 57340179
2-[4-(4-Chlorophenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamate, 3b
CID 57340182
2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline
CID 329202
5-(Benzenesulfonyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 1488905

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazole (CID 2743735) is 4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazole is O=S(=O)(Cc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazole?
The InChIKey is QOWUNAIQJZWIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2S2/c17-12-3-1-11(2-4-12)15-9-22-16(19-15)10-23(20,21)14-7-5-13(18)6-8-14/h1-9H,10H2.
What are the key properties of 4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazole has a molecular weight of 384.31 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazole is sourced from PubChem (CID 2743735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).