5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole

C16H11Cl2NO4S3 — CID 45495724

IUPAC5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(Cl)s2)cc1
InChIInChI=1S/C16H11Cl2NO4S3/c1-10-2-6-13(7-3-10)26(22,23)16-19-15(14(18)24-16)25(20,21)12-8-4-11(17)5-9-12/h2-9H,1H3
InChIKeyIHSCPQUQRQFYMB-UHFFFAOYSA-N
MW448.37 g/mol
LogP4.42
Rot. Bonds4

About 5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole

5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole (PubChem CID 45495724) has the molecular formula C16H11Cl2NO4S3 and a molecular weight of 448.37 g/mol. Its IUPAC name is 5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole
PubChem CID45495724
Molecular FormulaC16H11Cl2NO4S3
Molecular Weight448.37 g/mol
Exact Mass446.92
IUPAC Name5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(Cl)s2)cc1
InChIInChI=1S/C16H11Cl2NO4S3/c1-10-2-6-13(7-3-10)26(22,23)16-19-15(14(18)24-16)25(20,21)12-8-4-11(17)5-9-12/h2-9H,1H3
InChIKeyIHSCPQUQRQFYMB-UHFFFAOYSA-N
XLogP4.42
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl] 4-chlorobenzoate
CID 51602906
5-chloro-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine
CID 7424870
5-chloro-N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine
CID 11337935
4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-5-methylsulfonyl-1,3-oxazole
CID 167344246
N-benzyl-5-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine
CID 135000474
3-[1-(4-chlorophenyl)cyclopropyl]-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole
CID 67080890
5-chloro-2-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole
CID 2107753
4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 5098546
4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-1,3-thiazol-5-amine
CID 43845732
5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole
CID 2107752
4-(4-chlorophenyl)sulfonyl-5-ethylsulfonyl-2-(4-methylphenyl)-1,3-oxazole
CID 167344308
4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-5-pyrrolidin-1-yl-1,3-thiazole
CID 6623318

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole?
The IUPAC name of 5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole (CID 45495724) is 5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole?
The canonical SMILES for 5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole is Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(Cl)s2)cc1.
What is the InChIKey of 5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole?
The InChIKey is IHSCPQUQRQFYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO4S3/c1-10-2-6-13(7-3-10)26(22,23)16-19-15(14(18)24-16)25(20,21)12-8-4-11(17)5-9-12/h2-9H,1H3.
What are the key properties of 5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole?
5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole has a molecular weight of 448.37 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 45495724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).