N-[(3-fluoro-2-pyridinyl)sulfonyl]-3,3-dimethylbutanamide

C11H15FN2O3S — CID 91652926

IUPACN-[(3-fluoro-2-pyridinyl)sulfonyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C11H15FN2O3S/c1-11(2,3)7-9(15)14-18(16,17)10-8(12)5-4-6-13-10/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyNNWWPFPYSANGDB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.46
Rot. Bonds3

About N-[(3-fluoro-2-pyridinyl)sulfonyl]-3,3-dimethylbutanamide

N-[(3-fluoro-2-pyridinyl)sulfonyl]-3,3-dimethylbutanamide (PubChem CID 91652926) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)sulfonyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)sulfonyl]-3,3-dimethylbutanamide
PubChem CID91652926
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC NameN-[(3-fluoro-2-pyridinyl)sulfonyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C11H15FN2O3S/c1-11(2,3)7-9(15)14-18(16,17)10-8(12)5-4-6-13-10/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyNNWWPFPYSANGDB-UHFFFAOYSA-N
XLogP1.46
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)sulfonyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)sulfonyl]-3,3-dimethylbutanamide (CID 91652926) is N-[(3-fluoro-2-pyridinyl)sulfonyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)sulfonyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)sulfonyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NS(=O)(=O)c1ncccc1F.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)sulfonyl]-3,3-dimethylbutanamide?
The InChIKey is NNWWPFPYSANGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-11(2,3)7-9(15)14-18(16,17)10-8(12)5-4-6-13-10/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of N-[(3-fluoro-2-pyridinyl)sulfonyl]-3,3-dimethylbutanamide?
N-[(3-fluoro-2-pyridinyl)sulfonyl]-3,3-dimethylbutanamide has a molecular weight of 274.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)sulfonyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 91652926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).