3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide

C16H16N4O3S2 — CID 3235802

IUPAC3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNS(=O)(=O)c2cccc3nsnc23)c1
InChIInChI=1S/C16H16N4O3S2/c1-11-4-2-5-12(10-11)18-15(21)8-9-17-25(22,23)14-7-3-6-13-16(14)20-24-19-13/h2-7,10,17H,8-9H2,1H3,(H,18,21)
InChIKeyGVCZQFHLNBRSAA-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.31
Rot. Bonds6

About 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide

3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide (PubChem CID 3235802) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide
PubChem CID3235802
Molecular FormulaC16H16N4O3S2
Molecular Weight376.46 g/mol
Exact Mass376.07
IUPAC Name3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNS(=O)(=O)c2cccc3nsnc23)c1
InChIInChI=1S/C16H16N4O3S2/c1-11-4-2-5-12(10-11)18-15(21)8-9-17-25(22,23)14-7-3-6-13-16(14)20-24-19-13/h2-7,10,17H,8-9H2,1H3,(H,18,21)
InChIKeyGVCZQFHLNBRSAA-UHFFFAOYSA-N
XLogP2.31
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanamide
CID 3239184
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(4-bromo-3-methylphenyl)propanamide
CID 4253315
3-[(2-methylbenzotriazol-4-yl)sulfonylamino]-N-(3-methylphenyl)propanamide
CID 131889963
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(2,3-dimethylphenyl)propanamide
CID 15987767
N-[2-(methylamino)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 62657997
N-butyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3377484
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N'-hydroxypropanimidamide
CID 76953208
3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-phenylpropanamide
CID 22421881
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 4053515
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 22583026
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 3245497
4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-(2,5-dimethylphenyl)cyclohexane-1-carboxamide
CID 20862360

Frequently Asked Questions

What is the IUPAC name of 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide (CID 3235802) is 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCNS(=O)(=O)c2cccc3nsnc23)c1.
What is the InChIKey of 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide?
The InChIKey is GVCZQFHLNBRSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c1-11-4-2-5-12(10-11)18-15(21)8-9-17-25(22,23)14-7-3-6-13-16(14)20-24-19-13/h2-7,10,17H,8-9H2,1H3,(H,18,21).
What are the key properties of 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide?
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide has a molecular weight of 376.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 3235802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).