2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide

C11H13F3N2O3S — CID 81176309

IUPAC2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide
SMILESCNC(=O)C(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C11H13F3N2O3S/c1-6(10(17)16-2)20(18,19)9-4-3-7(5-8(9)15)11(12,13)14/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyHASGJBRIMUGROX-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.20
Rot. Bonds3

About 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide

2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide (PubChem CID 81176309) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide
PubChem CID81176309
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide
SMILESCNC(=O)C(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C11H13F3N2O3S/c1-6(10(17)16-2)20(18,19)9-4-3-7(5-8(9)15)11(12,13)14/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyHASGJBRIMUGROX-UHFFFAOYSA-N
XLogP1.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.20
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-fluorophenyl)sulfonyl-N-methylpropanamide
CID 81184526
2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide
CID 81185562
2-(difluoromethylsulfonyl)-5-(trifluoromethyl)aniline
CID 81176179
(2S)-N-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
CID 94087753
2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide
CID 81206553
2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-ethylacetamide
CID 81174568
2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81184759
2-(2-amino-4-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81184144
(2S)-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 95665678
2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide
CID 81185447
2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide
CID 140559986
5-(trifluoromethyl)-2-(3,3,3-trifluoropropylsulfonyl)aniline
CID 81175070

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide?
The IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide (CID 81176309) is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide.
What is the SMILES notation for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide?
The canonical SMILES for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide is CNC(=O)C(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide?
The InChIKey is HASGJBRIMUGROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-6(10(17)16-2)20(18,19)9-4-3-7(5-8(9)15)11(12,13)14/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide?
2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide has a molecular weight of 310.30 g/mol, XLogP of 1.20, 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-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide is sourced from PubChem (CID 81176309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).