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

C11H16FN3O3S — CID 106343813

IUPAC2-[(2-amino-3-fluorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)C(NS(=O)(=O)c1cccc(F)c1N)C(N)=O
InChIInChI=1S/C11H16FN3O3S/c1-6(2)10(11(14)16)15-19(17,18)8-5-3-4-7(12)9(8)13/h3-6,10,15H,13H2,1-2H3,(H2,14,16)
InChIKeyRCPRPTFEYBPUSS-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.20
Rot. Bonds5

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

2-[(2-amino-3-fluorophenyl)sulfonylamino]-3-methylbutanamide (PubChem CID 106343813) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(2-amino-3-fluorophenyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(2-amino-3-fluorophenyl)sulfonylamino]-3-methylbutanamide
PubChem CID106343813
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name2-[(2-amino-3-fluorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)C(NS(=O)(=O)c1cccc(F)c1N)C(N)=O
InChIInChI=1S/C11H16FN3O3S/c1-6(2)10(11(14)16)15-19(17,18)8-5-3-4-7(12)9(8)13/h3-6,10,15H,13H2,1-2H3,(H2,14,16)
InChIKeyRCPRPTFEYBPUSS-UHFFFAOYSA-N
XLogP0.20
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-4-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106343847
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 62057730
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 7063256
2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide
CID 106343791
methyl 2-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoate
CID 25039001
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 142670856
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 55324526
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106343844
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide
CID 18160979
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzenesulfonamide
CID 18108558
2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide
CID 106346489

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of 2-[(2-amino-3-fluorophenyl)sulfonylamino]-3-methylbutanamide (CID 106343813) is 2-[(2-amino-3-fluorophenyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[(2-amino-3-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for 2-[(2-amino-3-fluorophenyl)sulfonylamino]-3-methylbutanamide is CC(C)C(NS(=O)(=O)c1cccc(F)c1N)C(N)=O.
What is the InChIKey of 2-[(2-amino-3-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is RCPRPTFEYBPUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-6(2)10(11(14)16)15-19(17,18)8-5-3-4-7(12)9(8)13/h3-6,10,15H,13H2,1-2H3,(H2,14,16).
What are the key properties of 2-[(2-amino-3-fluorophenyl)sulfonylamino]-3-methylbutanamide?
2-[(2-amino-3-fluorophenyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 289.33 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-fluorophenyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 106343813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).