2-chloro-2-fluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide

C9H7ClFN3OS — CID 167875738

IUPAC2-chloro-2-fluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCc1ccc2nsnc2c1NC(=O)C(F)Cl
InChIInChI=1S/C9H7ClFN3OS/c1-4-2-3-5-7(14-16-13-5)6(4)12-9(15)8(10)11/h2-3,8H,1H3,(H,12,15)
InChIKeyDCLQGKGSWBKVQF-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.47
Rot. Bonds2

About 2-chloro-2-fluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide

2-chloro-2-fluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide (PubChem CID 167875738) has the molecular formula C9H7ClFN3OS and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
PubChem CID167875738
Molecular FormulaC9H7ClFN3OS
Molecular Weight259.69 g/mol
Exact Mass259.00
IUPAC Name2-chloro-2-fluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCc1ccc2nsnc2c1NC(=O)C(F)Cl
InChIInChI=1S/C9H7ClFN3OS/c1-4-2-3-5-7(14-16-13-5)6(4)12-9(15)8(10)11/h2-3,8H,1H3,(H,12,15)
InChIKeyDCLQGKGSWBKVQF-UHFFFAOYSA-N
XLogP2.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 17335846
2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 2038732
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)formamide
CID 168653310
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 65474532
5-bromo-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)naphthalene-1-carboxamide
CID 17027032
1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(5-methyl-2,1,3-benzothiadiazol-4-yl)urea
CID 126438998
3-chloro-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
CID 5091717
5-(3-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
CID 2890095
(3R)-3-hydroxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 126444923
(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)prop-2-enamide
CID 17368080
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
CID 6471882

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide (CID 167875738) is 2-chloro-2-fluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide is Cc1ccc2nsnc2c1NC(=O)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The InChIKey is DCLQGKGSWBKVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3OS/c1-4-2-3-5-7(14-16-13-5)6(4)12-9(15)8(10)11/h2-3,8H,1H3,(H,12,15).
What are the key properties of 2-chloro-2-fluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
2-chloro-2-fluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide has a molecular weight of 259.69 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide is sourced from PubChem (CID 167875738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).