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

C15H12ClN3OS — CID 4993445

IUPAC2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCc1ccc2nsnc2c1NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3OS/c1-9-2-7-12-15(19-21-18-12)14(9)17-13(20)8-10-3-5-11(16)6-4-10/h2-7H,8H2,1H3,(H,17,20)
InChIKeyJRAVPLQYAXCMRQ-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.83
Rot. Bonds3

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

2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide (PubChem CID 4993445) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
PubChem CID4993445
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCc1ccc2nsnc2c1NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3OS/c1-9-2-7-12-15(19-21-18-12)14(9)17-13(20)8-10-3-5-11(16)6-4-10/h2-7H,8H2,1H3,(H,17,20)
InChIKeyJRAVPLQYAXCMRQ-UHFFFAOYSA-N
XLogP3.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 24790967
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide
CID 738267
2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 1132513
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]acetamide
CID 1348154
2-(4-chlorophenyl)-N-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)acetamide
CID 15991128
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 933563
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide
CID 842936
2-(4-chlorophenyl)-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]acetamide
CID 1047576
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide
CID 2929233
N-(4-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 773427
N-(2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 1131191
2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
CID 1345812

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide (CID 4993445) is 2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide is Cc1ccc2nsnc2c1NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The InChIKey is JRAVPLQYAXCMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-9-2-7-12-15(19-21-18-12)14(9)17-13(20)8-10-3-5-11(16)6-4-10/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of 2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide has a molecular weight of 317.80 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide is sourced from PubChem (CID 4993445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).