N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide

C11H16FN3O3S — CID 60713055

IUPACN-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide
SMILESCCNC(=O)C(C)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H16FN3O3S/c1-3-14-11(16)7(2)15-10-5-4-8(6-9(10)12)19(13,17)18/h4-7,15H,3H2,1-2H3,(H,14,16)(H2,13,17,18)
InChIKeyCKMYNZNEZFRWKZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.41
Rot. Bonds5

About N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide

N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide (PubChem CID 60713055) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide
PubChem CID60713055
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC NameN-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide
SMILESCCNC(=O)C(C)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H16FN3O3S/c1-3-14-11(16)7(2)15-10-5-4-8(6-9(10)12)19(13,17)18/h4-7,15H,3H2,1-2H3,(H,14,16)(H2,13,17,18)
InChIKeyCKMYNZNEZFRWKZ-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-5-sulfamoylanilino)-N-ethylpropanamide
CID 82907245
2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide
CID 61476320
2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
CID 61476098
2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide
CID 43119470
5-(2-fluoro-4-sulfamoylanilino)hexanoic acid
CID 82847003
N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
CID 104520209
N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide
CID 114217249
4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide
CID 60713097
1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea
CID 79162190
2-(4-amino-2-fluoro-5-methoxyanilino)-N-ethylpropanamide
CID 107258957
3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
CID 64599794

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide?
The IUPAC name of N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide (CID 60713055) is N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide.
What is the SMILES notation for N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide?
The canonical SMILES for N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide is CCNC(=O)C(C)Nc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide?
The InChIKey is CKMYNZNEZFRWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-3-14-11(16)7(2)15-10-5-4-8(6-9(10)12)19(13,17)18/h4-7,15H,3H2,1-2H3,(H,14,16)(H2,13,17,18).
What are the key properties of N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide?
N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide has a molecular weight of 289.33 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide is sourced from PubChem (CID 60713055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).