2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H7Cl2F3N4OS — CID 65476226

IUPAC2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1c(Cl)cc(Cl)c2nsnc12)NCC(F)(F)F
InChIInChI=1S/C10H7Cl2F3N4OS/c11-4-1-5(12)8-9(19-21-18-8)7(4)16-2-6(20)17-3-10(13,14)15/h1,16H,2-3H2,(H,17,20)
InChIKeyBRVGGQDTXCTICL-UHFFFAOYSA-N
MW359.16 g/mol
LogP3.09
Rot. Bonds4

About 2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 65476226) has the molecular formula C10H7Cl2F3N4OS and a molecular weight of 359.16 g/mol. Its IUPAC name is 2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID65476226
Molecular FormulaC10H7Cl2F3N4OS
Molecular Weight359.16 g/mol
Exact Mass357.97
IUPAC Name2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1c(Cl)cc(Cl)c2nsnc12)NCC(F)(F)F
InChIInChI=1S/C10H7Cl2F3N4OS/c11-4-1-5(12)8-9(19-21-18-8)7(4)16-2-6(20)17-3-10(13,14)15/h1,16H,2-3H2,(H,17,20)
InChIKeyBRVGGQDTXCTICL-UHFFFAOYSA-N
XLogP3.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.16
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 65476226) is 2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNc1c(Cl)cc(Cl)c2nsnc12)NCC(F)(F)F.
What is the InChIKey of 2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BRVGGQDTXCTICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2F3N4OS/c11-4-1-5(12)8-9(19-21-18-8)7(4)16-2-6(20)17-3-10(13,14)15/h1,16H,2-3H2,(H,17,20).
What are the key properties of 2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 359.16 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 65476226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).