2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide

C16H15N3O3S2 — CID 22583020

IUPAC2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)c2cccc3nsnc23)cc1C
InChIInChI=1S/C16H15N3O3S2/c1-10-6-7-12(8-11(10)2)17-15(20)9-24(21,22)14-5-3-4-13-16(14)19-23-18-13/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyCYGDYCGJSMOROY-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.72
Rot. Bonds4

About 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide

2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 22583020) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide
PubChem CID22583020
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC Name2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)c2cccc3nsnc23)cc1C
InChIInChI=1S/C16H15N3O3S2/c1-10-6-7-12(8-11(10)2)17-15(20)9-24(21,22)14-5-3-4-13-16(14)19-23-18-13/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyCYGDYCGJSMOROY-UHFFFAOYSA-N
XLogP2.72
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 22583026
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 22583019
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(4-bromo-3-methylphenyl)propanamide
CID 4253315
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide
CID 3235802
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22583003
3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-phenylpropanamide
CID 22421881
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 3245497
N-(3-acetylphenyl)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanamide
CID 3239184
2-(1H-benzimidazol-2-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide
CID 23771917
diethyl 5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)benzene-1,3-dicarboxylate
CID 22773021
methyl 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylbenzoate
CID 22774356
(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-bromo-3-methylphenyl)pyrrolidine-2-carboxamide
CID 92665061

Frequently Asked Questions

What is the IUPAC name of 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide (CID 22583020) is 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CS(=O)(=O)c2cccc3nsnc23)cc1C.
What is the InChIKey of 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is CYGDYCGJSMOROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-10-6-7-12(8-11(10)2)17-15(20)9-24(21,22)14-5-3-4-13-16(14)19-23-18-13/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide?
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 2.72, 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-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 22583020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).