5-chloro-2-(3-chlorophenyl)-1,3-thiazole 1,1-dioxide

C9H5Cl2NO2S — CID 117259012

IUPAC5-chloro-2-(3-chlorophenyl)-1,3-thiazole 1,1-dioxide
SMILESO=S1(=O)C(Cl)=CN=C1c1cccc(Cl)c1
InChIInChI=1S/C9H5Cl2NO2S/c10-7-3-1-2-6(4-7)9-12-5-8(11)15(9,13)14/h1-5H
InChIKeyMHGBHFBCXXUTGO-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.55
Rot. Bonds1

About 5-chloro-2-(3-chlorophenyl)-1,3-thiazole 1,1-dioxide

5-chloro-2-(3-chlorophenyl)-1,3-thiazole 1,1-dioxide (PubChem CID 117259012) has the molecular formula C9H5Cl2NO2S and a molecular weight of 262.12 g/mol. Its IUPAC name is 5-chloro-2-(3-chlorophenyl)-1,3-thiazole 1,1-dioxide.

Molecular Properties

Compound Name5-chloro-2-(3-chlorophenyl)-1,3-thiazole 1,1-dioxide
PubChem CID117259012
Molecular FormulaC9H5Cl2NO2S
Molecular Weight262.12 g/mol
Exact Mass260.94
IUPAC Name5-chloro-2-(3-chlorophenyl)-1,3-thiazole 1,1-dioxide
SMILESO=S1(=O)C(Cl)=CN=C1c1cccc(Cl)c1
InChIInChI=1S/C9H5Cl2NO2S/c10-7-3-1-2-6(4-7)9-12-5-8(11)15(9,13)14/h1-5H
InChIKeyMHGBHFBCXXUTGO-UHFFFAOYSA-N
XLogP2.55
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1,3-bis(3-chlorophenyl)benzene
CID 54080795
5-(3-chlorophenyl)-1,1-dioxothiophen-2-amine
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5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione
CID 132588453
2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide
CID 169131798
3,5-bis(3-chlorophenyl)-1,2,4-triazol-4-amine
CID 15499603
2-(3-chlorophenoxy)-1,1-dioxo-1,3-thiazol-5-amine
CID 117190258
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
2-(3-chlorophenyl)-3H-pyrrole
CID 157390265
3-chloro-2-(3-chlorophenyl)-1H-pyrrole
CID 175142678
azane;1,3-dichlorobenzene
CID 67301049
1,3-dichlorobenzene;trihydrofluoride
CID 172846672
3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135957060

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chlorophenyl)-1,3-thiazole 1,1-dioxide?
The IUPAC name of 5-chloro-2-(3-chlorophenyl)-1,3-thiazole 1,1-dioxide (CID 117259012) is 5-chloro-2-(3-chlorophenyl)-1,3-thiazole 1,1-dioxide.
What is the SMILES notation for 5-chloro-2-(3-chlorophenyl)-1,3-thiazole 1,1-dioxide?
The canonical SMILES for 5-chloro-2-(3-chlorophenyl)-1,3-thiazole 1,1-dioxide is O=S1(=O)C(Cl)=CN=C1c1cccc(Cl)c1.
What is the InChIKey of 5-chloro-2-(3-chlorophenyl)-1,3-thiazole 1,1-dioxide?
The InChIKey is MHGBHFBCXXUTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO2S/c10-7-3-1-2-6(4-7)9-12-5-8(11)15(9,13)14/h1-5H.
What are the key properties of 5-chloro-2-(3-chlorophenyl)-1,3-thiazole 1,1-dioxide?
5-chloro-2-(3-chlorophenyl)-1,3-thiazole 1,1-dioxide has a molecular weight of 262.12 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-chlorophenyl)-1,3-thiazole 1,1-dioxide is sourced from PubChem (CID 117259012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).