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

C11H13N3O3S2 — CID 47271325

IUPACN-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C11H13N3O3S2/c1-11(2,3)10(15)14-19(16,17)8-6-4-5-7-9(8)13-18-12-7/h4-6H,1-3H3,(H,14,15)
InChIKeyNRKIBXJABPEHIH-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.54
Rot. Bonds2

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

N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2,2-dimethylpropanamide (PubChem CID 47271325) 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)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2,2-dimethylpropanamide
PubChem CID47271325
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC NameN-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C11H13N3O3S2/c1-11(2,3)10(15)14-19(16,17)8-6-4-5-7-9(8)13-18-12-7/h4-6H,1-3H3,(H,14,15)
InChIKeyNRKIBXJABPEHIH-UHFFFAOYSA-N
XLogP1.54
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2,2-dimethylpropanamide (CID 47271325) is N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NS(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2,2-dimethylpropanamide?
The InChIKey is NRKIBXJABPEHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-11(2,3)10(15)14-19(16,17)8-6-4-5-7-9(8)13-18-12-7/h4-6H,1-3H3,(H,14,15).
What are the key properties of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2,2-dimethylpropanamide?
N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2,2-dimethylpropanamide has a molecular weight of 299.38 g/mol, XLogP of 1.54, 2 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)-2,2-dimethylpropanamide is sourced from PubChem (CID 47271325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).