2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide

C10H13FN2O3S — CID 81184526

IUPAC2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide
SMILESCNC(=O)C(C)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C10H13FN2O3S/c1-6(10(14)13-2)17(15,16)9-4-3-7(11)5-8(9)12/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyVOIFJQGVIVZVHW-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.32
Rot. Bonds3

About 2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide

2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide (PubChem CID 81184526) has the molecular formula C10H13FN2O3S and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide
PubChem CID81184526
Molecular FormulaC10H13FN2O3S
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC Name2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide
SMILESCNC(=O)C(C)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C10H13FN2O3S/c1-6(10(14)13-2)17(15,16)9-4-3-7(11)5-8(9)12/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyVOIFJQGVIVZVHW-UHFFFAOYSA-N
XLogP0.32
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide
CID 81185562
2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide
CID 81176309
2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81183174
2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 54950967
2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide
CID 81206553
2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide
CID 81193113
2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 43304297
2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81184759
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 43576306
5-fluoro-2-methylsulfonylaniline
CID 22567345
1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol
CID 107889509
5-fluoro-2-(2-methylpropylsulfonyl)aniline
CID 81185051

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide?
The IUPAC name of 2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide (CID 81184526) is 2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide is CNC(=O)C(C)S(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide?
The InChIKey is VOIFJQGVIVZVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3S/c1-6(10(14)13-2)17(15,16)9-4-3-7(11)5-8(9)12/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide?
2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide has a molecular weight of 260.29 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide is sourced from PubChem (CID 81184526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).