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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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide
CID 58198732
2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide
CID 112673521
methyl 2-[(3-fluoro-4-methylphenyl)sulfonylamino]-2-methylpropanoate
CID 39655364
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66171813
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide
CID 79664134
3-fluoro-N-(2-hydroxy-2-methylbutyl)-4-methylbenzenesulfonamide
CID 65112867
2-(4-cyanophenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 88879379
2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide
CID 107170404
1,2-difluoro-4-(trifluoromethylsulfonyl)benzene
CID 97109516
N-(4-tert-butylsulfonyl-2-fluorophenyl)acetamide
CID 20680888
3-(4-fluorophenyl)sulfonyl-3-methylbutan-2-one
CID 115045256
(E)-2,3-bis(3-fluoro-4-methylphenyl)but-2-enediamide
CID 71246699

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).