2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide

C15H12F3N3O5S — CID 26217762

IUPAC2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12F3N3O5S/c1-20(27(25,26)10-4-2-3-9(7-10)21(23)24)8-13(22)19-12-6-5-11(16)14(17)15(12)18/h2-7H,8H2,1H3,(H,19,22)
InChIKeyAXVNLLPNYLQHMR-UHFFFAOYSA-N
MW403.34 g/mol
LogP2.27
Rot. Bonds6

About 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 26217762) has the molecular formula C15H12F3N3O5S and a molecular weight of 403.34 g/mol. Its IUPAC name is 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID26217762
Molecular FormulaC15H12F3N3O5S
Molecular Weight403.34 g/mol
Exact Mass403.04
IUPAC Name2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12F3N3O5S/c1-20(27(25,26)10-4-2-3-9(7-10)21(23)24)8-13(22)19-12-6-5-11(16)14(17)15(12)18/h2-7H,8H2,1H3,(H,19,22)
InChIKeyAXVNLLPNYLQHMR-UHFFFAOYSA-N
XLogP2.27
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
CID 112788630
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26217769
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 26217725
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28546744
N-[1-(4-chlorophenyl)ethyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
CID 112808147
N-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
CID 26217755
2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 9345460
2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7937851
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(2,4-difluorophenyl)acetamide
CID 1317979
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 2567953
(E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 6289668
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 110335743

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 26217762) is 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is AXVNLLPNYLQHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O5S/c1-20(27(25,26)10-4-2-3-9(7-10)21(23)24)8-13(22)19-12-6-5-11(16)14(17)15(12)18/h2-7H,8H2,1H3,(H,19,22).
What are the key properties of 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 403.34 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 26217762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).