2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide

C11H16FN3O3S — CID 43576306

IUPAC2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C11H16FN3O3S/c1-3-14-11(16)7(2)15-19(17,18)10-5-4-8(12)6-9(10)13/h4-7,15H,3,13H2,1-2H3,(H,14,16)
InChIKeyGTUBABMMGNMXSR-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.21
Rot. Bonds5

About 2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide

2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide (PubChem CID 43576306) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
PubChem CID43576306
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C11H16FN3O3S/c1-3-14-11(16)7(2)15-19(17,18)10-5-4-8(12)6-9(10)13/h4-7,15H,3,13H2,1-2H3,(H,14,16)
InChIKeyGTUBABMMGNMXSR-UHFFFAOYSA-N
XLogP0.21
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.21
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

(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
(2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide
CID 8802570
(2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide
CID 8801007
2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
CID 61476098
2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081228
2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 54950967
2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide
CID 115328810
2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide
CID 61476091
(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 8802546
2-[(3-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide
CID 82846047
2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 79961871
2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61108154

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide (CID 43576306) is 2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide is CCNC(=O)C(C)NS(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is GTUBABMMGNMXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-3-14-11(16)7(2)15-19(17,18)10-5-4-8(12)6-9(10)13/h4-7,15H,3,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide?
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 289.33 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 43576306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).