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

C8H5Cl2F2N3S — CID 65475053

IUPAC5,7-dichloro-N-(2,2-difluoroethyl)-2,1,3-benzothiadiazol-4-amine
SMILESFC(F)CNc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C8H5Cl2F2N3S/c9-3-1-4(10)7-8(15-16-14-7)6(3)13-2-5(11)12/h1,5,13H,2H2
InChIKeyRELNPMBSOIKLTI-UHFFFAOYSA-N
MW284.12 g/mol
LogP3.68
Rot. Bonds3

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

5,7-dichloro-N-(2,2-difluoroethyl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 65475053) has the molecular formula C8H5Cl2F2N3S and a molecular weight of 284.12 g/mol. Its IUPAC name is 5,7-dichloro-N-(2,2-difluoroethyl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-(2,2-difluoroethyl)-2,1,3-benzothiadiazol-4-amine
PubChem CID65475053
Molecular FormulaC8H5Cl2F2N3S
Molecular Weight284.12 g/mol
Exact Mass282.95
IUPAC Name5,7-dichloro-N-(2,2-difluoroethyl)-2,1,3-benzothiadiazol-4-amine
SMILESFC(F)CNc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C8H5Cl2F2N3S/c9-3-1-4(10)7-8(15-16-14-7)6(3)13-2-5(11)12/h1,5,13H,2H2
InChIKeyRELNPMBSOIKLTI-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,1,3-Benzothiadiazol-4-amine, 5,7-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-
CID 3039837
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,2,2-trifluoroacetamide
CID 9203833
5,7-dichloro-N-[(2,5-difluorophenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740894
5,7-dichloro-N-[(4-fluorophenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740906
5,7-dichloro-N-[(2,4-difluorophenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740909
5,7-dichloro-N-[(3-fluorophenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740912
5,7-dichloro-N-[(2,6-difluorophenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740918
5,7-dichloro-N-[(3,4-difluorophenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740919
5,7-dichloro-N-[1-(2-fluorophenyl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 43740980
5,7-dichloro-N-[1-(4-fluorophenyl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 43740982
5,7-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740988
5,7-dichloro-N-[(2-fluorophenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43741012

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-(2,2-difluoroethyl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5,7-dichloro-N-(2,2-difluoroethyl)-2,1,3-benzothiadiazol-4-amine (CID 65475053) is 5,7-dichloro-N-(2,2-difluoroethyl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5,7-dichloro-N-(2,2-difluoroethyl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5,7-dichloro-N-(2,2-difluoroethyl)-2,1,3-benzothiadiazol-4-amine is FC(F)CNc1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of 5,7-dichloro-N-(2,2-difluoroethyl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is RELNPMBSOIKLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F2N3S/c9-3-1-4(10)7-8(15-16-14-7)6(3)13-2-5(11)12/h1,5,13H,2H2.
What are the key properties of 5,7-dichloro-N-(2,2-difluoroethyl)-2,1,3-benzothiadiazol-4-amine?
5,7-dichloro-N-(2,2-difluoroethyl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 284.12 g/mol, XLogP of 3.68, 3 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-difluoroethyl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 65475053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).