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

C10H14FN3O3S — CID 54950967

IUPAC2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C10H14FN3O3S/c1-6(10(15)13-2)14-18(16,17)9-5-7(11)3-4-8(9)12/h3-6,14H,12H2,1-2H3,(H,13,15)
InChIKeyHZGZPNOQKOCTOL-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.18
Rot. Bonds4

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

2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 54950967) has the molecular formula C10H14FN3O3S and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide
PubChem CID54950967
Molecular FormulaC10H14FN3O3S
Molecular Weight275.31 g/mol
Exact Mass275.07
IUPAC Name2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C10H14FN3O3S/c1-6(10(15)13-2)14-18(16,17)9-5-7(11)3-4-8(9)12/h3-6,14H,12H2,1-2H3,(H,13,15)
InChIKeyHZGZPNOQKOCTOL-UHFFFAOYSA-N
XLogP-0.18
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93398317
2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 107343391
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 43576306
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 79896658
2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide
CID 81182916
4-fluoro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 61067117
2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 114379316
2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide
CID 81184526
(2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide
CID 8801007
2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 62196910
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 61106700
2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 61105978

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of 2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide (CID 54950967) is 2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide is CNC(=O)C(C)NS(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is HZGZPNOQKOCTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S/c1-6(10(15)13-2)14-18(16,17)9-5-7(11)3-4-8(9)12/h3-6,14H,12H2,1-2H3,(H,13,15).
What are the key properties of 2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide?
2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 275.31 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 54950967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).