5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine

C10H9Cl2N3O2S2 — CID 1360720

IUPAC5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCS(=O)(=O)c2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C10H9Cl2N3O2S2/c11-6-1-2-7(12)8(5-6)19(16,17)4-3-9-14-15-10(13)18-9/h1-2,5H,3-4H2,(H2,13,15)
InChIKeyYOIFXJDYJOLCPA-UHFFFAOYSA-N
MW338.24 g/mol
LogP2.44
Rot. Bonds4

About 5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine

5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 1360720) has the molecular formula C10H9Cl2N3O2S2 and a molecular weight of 338.24 g/mol. Its IUPAC name is 5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine
PubChem CID1360720
Molecular FormulaC10H9Cl2N3O2S2
Molecular Weight338.24 g/mol
Exact Mass336.95
IUPAC Name5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCS(=O)(=O)c2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C10H9Cl2N3O2S2/c11-6-1-2-7(12)8(5-6)19(16,17)4-3-9-14-15-10(13)18-9/h1-2,5H,3-4H2,(H2,13,15)
InChIKeyYOIFXJDYJOLCPA-UHFFFAOYSA-N
XLogP2.44
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine (CID 1360720) is 5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(CCS(=O)(=O)c2cc(Cl)ccc2Cl)s1.
What is the InChIKey of 5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YOIFXJDYJOLCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O2S2/c11-6-1-2-7(12)8(5-6)19(16,17)4-3-9-14-15-10(13)18-9/h1-2,5H,3-4H2,(H2,13,15).
What are the key properties of 5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine?
5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 338.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 1360720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).