2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-methylacetamide

C9H11F2N3O3S — CID 43310346

IUPAC2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C9H11F2N3O3S/c1-13-9(15)4-14-18(16,17)8-3-7(12)5(10)2-6(8)11/h2-3,14H,4,12H2,1H3,(H,13,15)
InChIKeyZBIIPUMXOMFHCO-UHFFFAOYSA-N
MW279.27 g/mol
LogP-0.43
Rot. Bonds4

About 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-methylacetamide

2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-methylacetamide (PubChem CID 43310346) has the molecular formula C9H11F2N3O3S and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-methylacetamide
PubChem CID43310346
Molecular FormulaC9H11F2N3O3S
Molecular Weight279.27 g/mol
Exact Mass279.05
IUPAC Name2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C9H11F2N3O3S/c1-13-9(15)4-14-18(16,17)8-3-7(12)5(10)2-6(8)11/h2-3,14H,4,12H2,1H3,(H,13,15)
InChIKeyZBIIPUMXOMFHCO-UHFFFAOYSA-N
XLogP-0.43
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-methylacetamide (CID 43310346) is 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-methylacetamide is CNC(=O)CNS(=O)(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is ZBIIPUMXOMFHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O3S/c1-13-9(15)4-14-18(16,17)8-3-7(12)5(10)2-6(8)11/h2-3,14H,4,12H2,1H3,(H,13,15).
What are the key properties of 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-methylacetamide?
2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-methylacetamide has a molecular weight of 279.27 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 43310346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).