N-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide

C12H14N2O3S — CID 129263111

IUPACN-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C12H14N2O3S/c1-12(2,3)11(15)14-18(16,17)10-7-5-4-6-9(10)8-13/h4-7H,1-3H3,(H,14,15)
InChIKeyAOGNQKFEFGZJQD-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.41
Rot. Bonds2

About N-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide

N-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide (PubChem CID 129263111) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide
PubChem CID129263111
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C12H14N2O3S/c1-12(2,3)11(15)14-18(16,17)10-7-5-4-6-9(10)8-13/h4-7H,1-3H3,(H,14,15)
InChIKeyAOGNQKFEFGZJQD-UHFFFAOYSA-N
XLogP1.41
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide?
The IUPAC name of N-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide (CID 129263111) is N-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide is CC(C)(C)C(=O)NS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide?
The InChIKey is AOGNQKFEFGZJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-12(2,3)11(15)14-18(16,17)10-7-5-4-6-9(10)8-13/h4-7H,1-3H3,(H,14,15).
What are the key properties of N-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide?
N-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide has a molecular weight of 266.32 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide is sourced from PubChem (CID 129263111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).