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

C12H17FN2O3S — CID 61130758

IUPACN-(5-fluoro-2-sulfamoylphenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc(F)ccc1S(N)(=O)=O
InChIInChI=1S/C12H17FN2O3S/c1-3-4-8(2)12(16)15-10-7-9(13)5-6-11(10)19(14,17)18/h5-8H,3-4H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyUTQKHZKGDZEJQO-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.85
Rot. Bonds5

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

N-(5-fluoro-2-sulfamoylphenyl)-2-methylpentanamide (PubChem CID 61130758) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(5-fluoro-2-sulfamoylphenyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(5-fluoro-2-sulfamoylphenyl)-2-methylpentanamide
PubChem CID61130758
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameN-(5-fluoro-2-sulfamoylphenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc(F)ccc1S(N)(=O)=O
InChIInChI=1S/C12H17FN2O3S/c1-3-4-8(2)12(16)15-10-7-9(13)5-6-11(10)19(14,17)18/h5-8H,3-4H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyUTQKHZKGDZEJQO-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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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-sulfamoylphenyl)-2-methylpentanamide?
The IUPAC name of N-(5-fluoro-2-sulfamoylphenyl)-2-methylpentanamide (CID 61130758) is N-(5-fluoro-2-sulfamoylphenyl)-2-methylpentanamide.
What is the SMILES notation for N-(5-fluoro-2-sulfamoylphenyl)-2-methylpentanamide?
The canonical SMILES for N-(5-fluoro-2-sulfamoylphenyl)-2-methylpentanamide is CCCC(C)C(=O)Nc1cc(F)ccc1S(N)(=O)=O.
What is the InChIKey of N-(5-fluoro-2-sulfamoylphenyl)-2-methylpentanamide?
The InChIKey is UTQKHZKGDZEJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-3-4-8(2)12(16)15-10-7-9(13)5-6-11(10)19(14,17)18/h5-8H,3-4H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(5-fluoro-2-sulfamoylphenyl)-2-methylpentanamide?
N-(5-fluoro-2-sulfamoylphenyl)-2-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-(5-fluoro-2-sulfamoylphenyl)-2-methylpentanamide is sourced from PubChem (CID 61130758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).