3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide

C11H15ClFN3O3S — CID 103052007

IUPAC3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCNS(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C11H15ClFN3O3S/c1-2-15-10(17)3-4-16-20(18,19)9-6-7(12)5-8(14)11(9)13/h5-6,16H,2-4,14H2,1H3,(H,15,17)
InChIKeyXULQNOPGQUHAHV-UHFFFAOYSA-N
MW323.78 g/mol
LogP0.87
Rot. Bonds6

About 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide

3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide (PubChem CID 103052007) has the molecular formula C11H15ClFN3O3S and a molecular weight of 323.78 g/mol. Its IUPAC name is 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide
PubChem CID103052007
Molecular FormulaC11H15ClFN3O3S
Molecular Weight323.78 g/mol
Exact Mass323.05
IUPAC Name3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCNS(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C11H15ClFN3O3S/c1-2-15-10(17)3-4-16-20(18,19)9-6-7(12)5-8(14)11(9)13/h5-6,16H,2-4,14H2,1H3,(H,15,17)
InChIKeyXULQNOPGQUHAHV-UHFFFAOYSA-N
XLogP0.87
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 50.87
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

3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 103052009
3-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 62955849
3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 114380127
3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 103050568
3-[(4-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 17225661
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 103051755
3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide
CID 103050733
3-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 115421509
3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide
CID 107365336
3-amino-5-chloro-2-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 103051424
3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide
CID 107574011

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide (CID 103052007) is 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide is CCNC(=O)CCNS(=O)(=O)c1cc(Cl)cc(N)c1F.
What is the InChIKey of 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is XULQNOPGQUHAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3O3S/c1-2-15-10(17)3-4-16-20(18,19)9-6-7(12)5-8(14)11(9)13/h5-6,16H,2-4,14H2,1H3,(H,15,17).
What are the key properties of 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide?
3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 323.78 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 103052007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).