N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,2-difluoroacetamide

C8H4ClF2N3OS — CID 103515768

IUPACN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,2-difluoroacetamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)C(F)F
InChIInChI=1S/C8H4ClF2N3OS/c9-3-1-2-4-6(14-16-13-4)5(3)12-8(15)7(10)11/h1-2,7H,(H,12,15)
InChIKeyUPBAKFFTKGNEEH-UHFFFAOYSA-N
MW263.66 g/mol
LogP2.55
Rot. Bonds2

About N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,2-difluoroacetamide

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,2-difluoroacetamide (PubChem CID 103515768) has the molecular formula C8H4ClF2N3OS and a molecular weight of 263.66 g/mol. Its IUPAC name is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,2-difluoroacetamide
PubChem CID103515768
Molecular FormulaC8H4ClF2N3OS
Molecular Weight263.66 g/mol
Exact Mass262.97
IUPAC NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,2-difluoroacetamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)C(F)F
InChIInChI=1S/C8H4ClF2N3OS/c9-3-1-2-4-6(14-16-13-4)5(3)12-8(15)7(10)11/h1-2,7H,(H,12,15)
InChIKeyUPBAKFFTKGNEEH-UHFFFAOYSA-N
XLogP2.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.66
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,2-difluoroacetamide (CID 103515768) is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,2-difluoroacetamide is O=C(Nc1c(Cl)ccc2nsnc12)C(F)F.
What is the InChIKey of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,2-difluoroacetamide?
The InChIKey is UPBAKFFTKGNEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2N3OS/c9-3-1-2-4-6(14-16-13-4)5(3)12-8(15)7(10)11/h1-2,7H,(H,12,15).
What are the key properties of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,2-difluoroacetamide?
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,2-difluoroacetamide has a molecular weight of 263.66 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 103515768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).