5,7-dichloro-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazol-4-amine

C8H4Cl2F3N3S — CID 65473693

IUPAC5,7-dichloro-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazol-4-amine
SMILESFC(F)(F)CNc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C8H4Cl2F3N3S/c9-3-1-4(10)6-7(16-17-15-6)5(3)14-2-8(11,12)13/h1,14H,2H2
InChIKeyJOUQHQSECIJTPD-UHFFFAOYSA-N
MW302.11 g/mol
LogP3.97
Rot. Bonds2

About 5,7-dichloro-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazol-4-amine

5,7-dichloro-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 65473693) has the molecular formula C8H4Cl2F3N3S and a molecular weight of 302.11 g/mol. Its IUPAC name is 5,7-dichloro-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazol-4-amine
PubChem CID65473693
Molecular FormulaC8H4Cl2F3N3S
Molecular Weight302.11 g/mol
Exact Mass300.95
IUPAC Name5,7-dichloro-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazol-4-amine
SMILESFC(F)(F)CNc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C8H4Cl2F3N3S/c9-3-1-4(10)6-7(16-17-15-6)5(3)14-2-8(11,12)13/h1,14H,2H2
InChIKeyJOUQHQSECIJTPD-UHFFFAOYSA-N
XLogP3.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5,7-dichloro-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazol-4-amine (CID 65473693) is 5,7-dichloro-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5,7-dichloro-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5,7-dichloro-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazol-4-amine is FC(F)(F)CNc1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of 5,7-dichloro-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is JOUQHQSECIJTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F3N3S/c9-3-1-4(10)6-7(16-17-15-6)5(3)14-2-8(11,12)13/h1,14H,2H2.
What are the key properties of 5,7-dichloro-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazol-4-amine?
5,7-dichloro-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 302.11 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 65473693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).