N-(2-fluoro-4-sulfamoylphenyl)-2-propylpentanamide

C14H21FN2O3S — CID 11034434

IUPACN-(2-fluoro-4-sulfamoylphenyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C14H21FN2O3S/c1-3-5-10(6-4-2)14(18)17-13-8-7-11(9-12(13)15)21(16,19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyPIEHBNQXHZIETI-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.63
Rot. Bonds7

About N-(2-fluoro-4-sulfamoylphenyl)-2-propylpentanamide

N-(2-fluoro-4-sulfamoylphenyl)-2-propylpentanamide (PubChem CID 11034434) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(2-fluoro-4-sulfamoylphenyl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(2-fluoro-4-sulfamoylphenyl)-2-propylpentanamide
PubChem CID11034434
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-(2-fluoro-4-sulfamoylphenyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C14H21FN2O3S/c1-3-5-10(6-4-2)14(18)17-13-8-7-11(9-12(13)15)21(16,19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyPIEHBNQXHZIETI-UHFFFAOYSA-N
XLogP2.63
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)-2-propylpentanamide?
The IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)-2-propylpentanamide (CID 11034434) is N-(2-fluoro-4-sulfamoylphenyl)-2-propylpentanamide.
What is the SMILES notation for N-(2-fluoro-4-sulfamoylphenyl)-2-propylpentanamide?
The canonical SMILES for N-(2-fluoro-4-sulfamoylphenyl)-2-propylpentanamide is CCCC(CCC)C(=O)Nc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of N-(2-fluoro-4-sulfamoylphenyl)-2-propylpentanamide?
The InChIKey is PIEHBNQXHZIETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-3-5-10(6-4-2)14(18)17-13-8-7-11(9-12(13)15)21(16,19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(2-fluoro-4-sulfamoylphenyl)-2-propylpentanamide?
N-(2-fluoro-4-sulfamoylphenyl)-2-propylpentanamide has a molecular weight of 316.40 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-sulfamoylphenyl)-2-propylpentanamide is sourced from PubChem (CID 11034434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).