N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide

C11H15FN2O3S2 — CID 114217249

IUPACN-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H15FN2O3S2/c1-7(6-18-2)11(15)14-10-4-3-8(5-9(10)12)19(13,16)17/h3-5,7H,6H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyARIBWSRZOIGYGP-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.41
Rot. Bonds5

About N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide

N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide (PubChem CID 114217249) has the molecular formula C11H15FN2O3S2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide
PubChem CID114217249
Molecular FormulaC11H15FN2O3S2
Molecular Weight306.38 g/mol
Exact Mass306.05
IUPAC NameN-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H15FN2O3S2/c1-7(6-18-2)11(15)14-10-4-3-8(5-9(10)12)19(13,16)17/h3-5,7H,6H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyARIBWSRZOIGYGP-UHFFFAOYSA-N
XLogP1.41
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
CID 104520209
N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide
CID 63821086
N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 61130531
1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea
CID 79162190
N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246651
N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide
CID 60713055
2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide
CID 100660836
N-(4-amino-2-fluorophenyl)-2-methylbutanamide
CID 43831298
5-(2-fluoro-4-sulfamoylanilino)hexanoic acid
CID 82847003
N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide
CID 61129990
N-(2-fluoro-4-sulfamoylphenyl)octanamide
CID 43246665
4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
CID 64599794

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide (CID 114217249) is N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide is CSCC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide?
The InChIKey is ARIBWSRZOIGYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S2/c1-7(6-18-2)11(15)14-10-4-3-8(5-9(10)12)19(13,16)17/h3-5,7H,6H2,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide?
N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide has a molecular weight of 306.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 114217249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).