2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide

C15H10F3N3O3S2 — CID 22583003

IUPAC2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CS(=O)(=O)c1cccc2nsnc12)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F3N3O3S2/c16-15(17,18)9-4-1-2-5-10(9)19-13(22)8-26(23,24)12-7-3-6-11-14(12)21-25-20-11/h1-7H,8H2,(H,19,22)
InChIKeyBJCNECDZKTXYHA-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.12
Rot. Bonds4

About 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 22583003) has the molecular formula C15H10F3N3O3S2 and a molecular weight of 401.39 g/mol. Its IUPAC name is 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID22583003
Molecular FormulaC15H10F3N3O3S2
Molecular Weight401.39 g/mol
Exact Mass401.01
IUPAC Name2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CS(=O)(=O)c1cccc2nsnc12)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F3N3O3S2/c16-15(17,18)9-4-1-2-5-10(9)19-13(22)8-26(23,24)12-7-3-6-11-14(12)21-25-20-11/h1-7H,8H2,(H,19,22)
InChIKeyBJCNECDZKTXYHA-UHFFFAOYSA-N
XLogP3.12
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide
CID 22583020
3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-phenylpropanamide
CID 22421881
2-(cyanomethylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 96694920
2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 110470032
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(2,3-dimethylphenyl)propanamide
CID 15987767
N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide
CID 108953788
N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 16522774
3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
CID 57365498
N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2,2-dimethylpropanamide
CID 47271325
N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 7484468
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493

Frequently Asked Questions

What is the IUPAC name of 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 22583003) is 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CS(=O)(=O)c1cccc2nsnc12)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BJCNECDZKTXYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3S2/c16-15(17,18)9-4-1-2-5-10(9)19-13(22)8-26(23,24)12-7-3-6-11-14(12)21-25-20-11/h1-7H,8H2,(H,19,22).
What are the key properties of 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 401.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 22583003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).