N-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide

C12H17FN2O3S — CID 114876358

IUPACN-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C12H17FN2O3S/c1-3-8(2)6-12(16)15-11-7-9(19(14,17)18)4-5-10(11)13/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeySHTLRRZWDVCSAM-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.85
Rot. Bonds5

About N-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide

N-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide (PubChem CID 114876358) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide
PubChem CID114876358
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameN-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C12H17FN2O3S/c1-3-8(2)6-12(16)15-11-7-9(19(14,17)18)4-5-10(11)13/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeySHTLRRZWDVCSAM-UHFFFAOYSA-N
XLogP1.85
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide
CID 114876342
N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide
CID 61129990
5-(2-fluoro-5-methylsulfonylanilino)-3-methyl-5-oxopentanoic acid
CID 62964722
N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide
CID 62588775
N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide
CID 61129999
N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 62677323
N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide
CID 63821086
N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 61129967
3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
CID 54924131
N-(2-fluoro-5-sulfamoylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476009
3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 114876353
N-(2-fluoro-4-sulfamoylphenyl)octanamide
CID 43246665

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide?
The IUPAC name of N-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide (CID 114876358) is N-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide.
What is the SMILES notation for N-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide?
The canonical SMILES for N-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide is CCC(C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of N-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide?
The InChIKey is SHTLRRZWDVCSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-3-8(2)6-12(16)15-11-7-9(19(14,17)18)4-5-10(11)13/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide?
N-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide has a molecular weight of 288.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide is sourced from PubChem (CID 114876358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).