3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methoxyphenyl)propanamide

C16H15N3O4S2 — CID 15994134

IUPAC3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)c2cccc3nsnc23)cc1
InChIInChI=1S/C16H15N3O4S2/c1-23-12-7-5-11(6-8-12)17-15(20)9-10-25(21,22)14-4-2-3-13-16(14)19-24-18-13/h2-8H,9-10H2,1H3,(H,17,20)
InChIKeyJHMXNXCTCZYJFV-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.50
Rot. Bonds6

About 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methoxyphenyl)propanamide

3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methoxyphenyl)propanamide (PubChem CID 15994134) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methoxyphenyl)propanamide
PubChem CID15994134
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC Name3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)c2cccc3nsnc23)cc1
InChIInChI=1S/C16H15N3O4S2/c1-23-12-7-5-11(6-8-12)17-15(20)9-10-25(21,22)14-4-2-3-13-16(14)19-24-18-13/h2-8H,9-10H2,1H3,(H,17,20)
InChIKeyJHMXNXCTCZYJFV-UHFFFAOYSA-N
XLogP2.50
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-phenylpropanamide
CID 22421881
3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 3239199
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 3245497
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-ethylphenyl)acetamide
CID 20856847
ethyl 4-[3-(2,1,3-benzoxadiazol-4-ylsulfonyl)propanoylamino]benzoate
CID 22421823
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 18586254
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide
CID 3235802
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(4-bromo-3-methylphenyl)propanamide
CID 4253315
N-(3-acetylphenyl)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanamide
CID 3239184
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 20862186
N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4112435
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461

Frequently Asked Questions

What is the IUPAC name of 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methoxyphenyl)propanamide (CID 15994134) is 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCS(=O)(=O)c2cccc3nsnc23)cc1.
What is the InChIKey of 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methoxyphenyl)propanamide?
The InChIKey is JHMXNXCTCZYJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-23-12-7-5-11(6-8-12)17-15(20)9-10-25(21,22)14-4-2-3-13-16(14)19-24-18-13/h2-8H,9-10H2,1H3,(H,17,20).
What are the key properties of 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methoxyphenyl)propanamide?
3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methoxyphenyl)propanamide has a molecular weight of 377.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 15994134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).