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

C9H8ClN3OS — CID 1132513

IUPAC2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCc1ccc2nsnc2c1NC(=O)CCl
InChIInChI=1S/C9H8ClN3OS/c1-5-2-3-6-9(13-15-12-6)8(5)11-7(14)4-10/h2-3H,4H2,1H3,(H,11,14)
InChIKeyPZFSOXXVENMMMU-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.18
Rot. Bonds2

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

2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide (PubChem CID 1132513) has the molecular formula C9H8ClN3OS and a molecular weight of 241.70 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
PubChem CID1132513
Molecular FormulaC9H8ClN3OS
Molecular Weight241.70 g/mol
Exact Mass241.01
IUPAC Name2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCc1ccc2nsnc2c1NC(=O)CCl
InChIInChI=1S/C9H8ClN3OS/c1-5-2-3-6-9(13-15-12-6)8(5)11-7(14)4-10/h2-3H,4H2,1H3,(H,11,14)
InChIKeyPZFSOXXVENMMMU-UHFFFAOYSA-N
XLogP2.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.18
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-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
CID 738198
2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 4993445
N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 654048
Methyl 7-methyl-2,1,3-benzothiadiazol-4-ylcarbamate
CID 605807
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 933563
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide
CID 842936
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide
CID 2929233
N-2,1,3-benzothiadiazol-5-yl-2-chloroacetamide
CID 1120455
N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 305691
N-(2,1,3-benzothiadiazol-4-yl)-2-chloroacetamide
CID 1120456
2,2-dimethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide
CID 2992692
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
CID 3160956

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The IUPAC name of 2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide (CID 1132513) is 2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide is Cc1ccc2nsnc2c1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The InChIKey is PZFSOXXVENMMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3OS/c1-5-2-3-6-9(13-15-12-6)8(5)11-7(14)4-10/h2-3H,4H2,1H3,(H,11,14).
What are the key properties of 2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide has a molecular weight of 241.70 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide is sourced from PubChem (CID 1132513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).