N-(2,1,3-benzothiadiazol-4-ylsulfonyl)pentanamide

C11H13N3O3S2 — CID 47271327

IUPACN-(2,1,3-benzothiadiazol-4-ylsulfonyl)pentanamide
SMILESCCCCC(=O)NS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C11H13N3O3S2/c1-2-3-7-10(15)14-19(16,17)9-6-4-5-8-11(9)13-18-12-8/h4-6H,2-3,7H2,1H3,(H,14,15)
InChIKeyNKALJMKYVXXEPF-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.69
Rot. Bonds5

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

N-(2,1,3-benzothiadiazol-4-ylsulfonyl)pentanamide (PubChem CID 47271327) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-ylsulfonyl)pentanamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-ylsulfonyl)pentanamide
PubChem CID47271327
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC NameN-(2,1,3-benzothiadiazol-4-ylsulfonyl)pentanamide
SMILESCCCCC(=O)NS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C11H13N3O3S2/c1-2-3-7-10(15)14-19(16,17)9-6-4-5-8-11(9)13-18-12-8/h4-6H,2-3,7H2,1H3,(H,14,15)
InChIKeyNKALJMKYVXXEPF-UHFFFAOYSA-N
XLogP1.69
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3377484
N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2,2-dimethylpropanamide
CID 47271325
(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)hexanoic acid
CID 104934694
N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-cyclohexylacetamide
CID 71892250
N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 94192056
3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-ethylhexyl)propanamide
CID 3236379
(2S,3S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylpentanoate
CID 6924494
N-[2-(methylamino)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 62657997
N-(2,6-dimethylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 5113255
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(2,3-dimethylphenyl)propanamide
CID 15987767
N-(4-acetylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3621069
N-[3-(aminomethyl)pentan-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 63888983

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)pentanamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)pentanamide (CID 47271327) is N-(2,1,3-benzothiadiazol-4-ylsulfonyl)pentanamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-ylsulfonyl)pentanamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-ylsulfonyl)pentanamide is CCCCC(=O)NS(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)pentanamide?
The InChIKey is NKALJMKYVXXEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-2-3-7-10(15)14-19(16,17)9-6-4-5-8-11(9)13-18-12-8/h4-6H,2-3,7H2,1H3,(H,14,15).
What are the key properties of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)pentanamide?
N-(2,1,3-benzothiadiazol-4-ylsulfonyl)pentanamide has a molecular weight of 299.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-ylsulfonyl)pentanamide is sourced from PubChem (CID 47271327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).