2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-methylacetamide

C9H12FN3O3S — CID 43310337

IUPAC2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C9H12FN3O3S/c1-12-9(14)5-13-17(15,16)8-4-6(11)2-3-7(8)10/h2-4,13H,5,11H2,1H3,(H,12,14)
InChIKeyNMVCWYGBKKCGQQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.57
Rot. Bonds4

About 2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-methylacetamide

2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-methylacetamide (PubChem CID 43310337) has the molecular formula C9H12FN3O3S and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-methylacetamide
PubChem CID43310337
Molecular FormulaC9H12FN3O3S
Molecular Weight261.28 g/mol
Exact Mass261.06
IUPAC Name2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C9H12FN3O3S/c1-12-9(14)5-13-17(15,16)8-4-6(11)2-3-7(8)10/h2-4,13H,5,11H2,1H3,(H,12,14)
InChIKeyNMVCWYGBKKCGQQ-UHFFFAOYSA-N
XLogP-0.57
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-methylacetamide (CID 43310337) is 2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-methylacetamide is CNC(=O)CNS(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is NMVCWYGBKKCGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O3S/c1-12-9(14)5-13-17(15,16)8-4-6(11)2-3-7(8)10/h2-4,13H,5,11H2,1H3,(H,12,14).
What are the key properties of 2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-methylacetamide?
2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-methylacetamide has a molecular weight of 261.28 g/mol, XLogP of -0.57, 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-fluorophenyl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 43310337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).