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

C15H12FN3O3S2 — CID 22583026

IUPAC2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)c2cccc3nsnc23)cc1F
InChIInChI=1S/C15H12FN3O3S2/c1-9-5-6-10(7-11(9)16)17-14(20)8-24(21,22)13-4-2-3-12-15(13)19-23-18-12/h2-7H,8H2,1H3,(H,17,20)
InChIKeyCVEOYZCYCUJXBJ-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.55
Rot. Bonds4

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

2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 22583026) has the molecular formula C15H12FN3O3S2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID22583026
Molecular FormulaC15H12FN3O3S2
Molecular Weight365.41 g/mol
Exact Mass365.03
IUPAC Name2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)c2cccc3nsnc23)cc1F
InChIInChI=1S/C15H12FN3O3S2/c1-9-5-6-10(7-11(9)16)17-14(20)8-24(21,22)13-4-2-3-12-15(13)19-23-18-12/h2-7H,8H2,1H3,(H,17,20)
InChIKeyCVEOYZCYCUJXBJ-UHFFFAOYSA-N
XLogP2.55
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.55
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
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-ylsulfonyl)-N-phenylpropanamide
CID 22421881
3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methoxyphenyl)propanamide
CID 15994134
N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide
CID 37229754
N-(3-amino-4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 43343951
N-(2,3,5,6-tetrafluorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22774605
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 50784533
2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9099428
2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide
CID 86992898
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116

Frequently Asked Questions

What is the IUPAC name of 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)acetamide (CID 22583026) is 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CS(=O)(=O)c2cccc3nsnc23)cc1F.
What is the InChIKey of 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is CVEOYZCYCUJXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S2/c1-9-5-6-10(7-11(9)16)17-14(20)8-24(21,22)13-4-2-3-12-15(13)19-23-18-12/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)acetamide?
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 365.41 g/mol, XLogP of 2.55, 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-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 22583026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).