2-(2,4-dichlorophenyl)sulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole

C9H3Cl2F3N2O2S2 — CID 71384566

IUPAC2-(2,4-dichlorophenyl)sulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESO=S(=O)(c1nnc(C(F)(F)F)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H3Cl2F3N2O2S2/c10-4-1-2-6(5(11)3-4)20(17,18)8-16-15-7(19-8)9(12,13)14/h1-3H
InChIKeyKEPJOXYTDRNSOB-UHFFFAOYSA-N
MW363.17 g/mol
LogP3.70
Rot. Bonds2

About 2-(2,4-dichlorophenyl)sulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole

2-(2,4-dichlorophenyl)sulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 71384566) has the molecular formula C9H3Cl2F3N2O2S2 and a molecular weight of 363.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)sulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)sulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID71384566
Molecular FormulaC9H3Cl2F3N2O2S2
Molecular Weight363.17 g/mol
Exact Mass361.90
IUPAC Name2-(2,4-dichlorophenyl)sulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESO=S(=O)(c1nnc(C(F)(F)F)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H3Cl2F3N2O2S2/c10-4-1-2-6(5(11)3-4)20(17,18)8-16-15-7(19-8)9(12,13)14/h1-3H
InChIKeyKEPJOXYTDRNSOB-UHFFFAOYSA-N
XLogP3.70
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.17
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)sulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2,4-dichlorophenyl)sulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 71384566) is 2-(2,4-dichlorophenyl)sulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)sulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)sulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole is O=S(=O)(c1nnc(C(F)(F)F)s1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)sulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is KEPJOXYTDRNSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl2F3N2O2S2/c10-4-1-2-6(5(11)3-4)20(17,18)8-16-15-7(19-8)9(12,13)14/h1-3H.
What are the key properties of 2-(2,4-dichlorophenyl)sulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-(2,4-dichlorophenyl)sulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 363.17 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)sulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 71384566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).