3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide

C11H15FN2O3S — CID 113431409

IUPAC3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H15FN2O3S/c1-11(2,7-10(13)15)14-18(16,17)9-6-4-3-5-8(9)12/h3-6,14H,7H2,1-2H3,(H2,13,15)
InChIKeyGGGPVTZDRDWKNP-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.76
Rot. Bonds5

About 3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide

3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide (PubChem CID 113431409) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
PubChem CID113431409
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H15FN2O3S/c1-11(2,7-10(13)15)14-18(16,17)9-6-4-3-5-8(9)12/h3-6,14H,7H2,1-2H3,(H2,13,15)
InChIKeyGGGPVTZDRDWKNP-UHFFFAOYSA-N
XLogP0.76
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-[[2-(methylamino)phenyl]sulfonylamino]butanamide
CID 106098324
3-(benzenesulfonamido)-3-methylbutanamide
CID 104600859
2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide
CID 21078666
2-ethyl-2-[(2-fluorophenyl)sulfonylamino]butanethioamide
CID 61123886
3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 106095528
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide
CID 114008662
3-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095532
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 115310559
3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095517
3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide
CID 104580524
3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide
CID 106097032
3-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095511

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of 3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide (CID 113431409) is 3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide is CC(C)(CC(N)=O)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is GGGPVTZDRDWKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-11(2,7-10(13)15)14-18(16,17)9-6-4-3-5-8(9)12/h3-6,14H,7H2,1-2H3,(H2,13,15).
What are the key properties of 3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 274.32 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 113431409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).