2-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C11H12F3N3O5S — CID 141430375

IUPAC2-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCC(C)(NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C11H12F3N3O5S/c1-10(2,9(15)18)16-23(21,22)6-3-4-8(17(19)20)7(5-6)11(12,13)14/h3-5,16H,1-2H3,(H2,15,18)
InChIKeyJFHRJUCDQKMRQH-UHFFFAOYSA-N
MW355.29 g/mol
LogP1.16
Rot. Bonds5

About 2-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

2-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 141430375) has the molecular formula C11H12F3N3O5S and a molecular weight of 355.29 g/mol. Its IUPAC name is 2-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID141430375
Molecular FormulaC11H12F3N3O5S
Molecular Weight355.29 g/mol
Exact Mass355.04
IUPAC Name2-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCC(C)(NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C11H12F3N3O5S/c1-10(2,9(15)18)16-23(21,22)6-3-4-8(17(19)20)7(5-6)11(12,13)14/h3-5,16H,1-2H3,(H2,15,18)
InChIKeyJFHRJUCDQKMRQH-UHFFFAOYSA-N
XLogP1.16
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[2-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoyl]amino]adamantane-1-carboxamide
CID 90294292
2-[(4-amino-2-nitrophenyl)sulfonylamino]-2-methylpropanamide
CID 62153300
3-[4-nitro-3-(trifluoromethyl)anilino]propanamide
CID 43553692
2-[(4-cyano-3-methylphenyl)sulfonylamino]-2-methylpropanamide
CID 106833125
N-tert-butyl-3-fluoro-4-nitrobenzenesulfonamide
CID 82844200
5-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2-iodobenzoic acid
CID 103962395
3-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17415879
4-methyl-1-nitro-2-(trifluoromethyl)benzene
CID 13455432
2-methyl-1-N-[4-nitro-3-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 115303785
2-[4-nitro-3-(trifluoromethyl)anilino]ethanesulfonamide
CID 43552389
methyl (2R)-2-[4-nitro-3-(trifluoromethyl)phenyl]propanoate
CID 124507305
[4-[4-nitro-3-(trifluoromethyl)benzoyl]phenyl]-[4-nitro-3-(trifluoromethyl)phenyl]methanone
CID 86190573

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of 2-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 141430375) is 2-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for 2-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for 2-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is CC(C)(NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(N)=O.
What is the InChIKey of 2-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is JFHRJUCDQKMRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O5S/c1-10(2,9(15)18)16-23(21,22)6-3-4-8(17(19)20)7(5-6)11(12,13)14/h3-5,16H,1-2H3,(H2,15,18).
What are the key properties of 2-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
2-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 355.29 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 141430375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).