2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide

C11H14FNO3S — CID 90818403

IUPAC2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide
SMILESCc1ccc(S(=O)(=O)C(C)(C)C(N)=O)cc1F
InChIInChI=1S/C11H14FNO3S/c1-7-4-5-8(6-9(7)12)17(15,16)11(2,3)10(13)14/h4-6H,1-3H3,(H2,13,14)
InChIKeyHJONHQWHQIUOFY-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.17
Rot. Bonds3

About 2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide

2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide (PubChem CID 90818403) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide
PubChem CID90818403
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide
SMILESCc1ccc(S(=O)(=O)C(C)(C)C(N)=O)cc1F
InChIInChI=1S/C11H14FNO3S/c1-7-4-5-8(6-9(7)12)17(15,16)11(2,3)10(13)14/h4-6H,1-3H3,(H2,13,14)
InChIKeyHJONHQWHQIUOFY-UHFFFAOYSA-N
XLogP1.17
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide (CID 90818403) is 2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide is Cc1ccc(S(=O)(=O)C(C)(C)C(N)=O)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide?
The InChIKey is HJONHQWHQIUOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c1-7-4-5-8(6-9(7)12)17(15,16)11(2,3)10(13)14/h4-6H,1-3H3,(H2,13,14).
What are the key properties of 2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide?
2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide has a molecular weight of 259.30 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 90818403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).