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

C12H17FN2O3S — CID 61131111

IUPACN-(5-fluoro-2-sulfamoylphenyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(F)ccc1S(N)(=O)=O
InChIInChI=1S/C12H17FN2O3S/c1-2-3-4-5-12(16)15-10-8-9(13)6-7-11(10)19(14,17)18/h6-8H,2-5H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyMSQVMGVNTCTBDA-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.99
Rot. Bonds6

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

N-(5-fluoro-2-sulfamoylphenyl)hexanamide (PubChem CID 61131111) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(5-fluoro-2-sulfamoylphenyl)hexanamide.

Molecular Properties

Compound NameN-(5-fluoro-2-sulfamoylphenyl)hexanamide
PubChem CID61131111
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameN-(5-fluoro-2-sulfamoylphenyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(F)ccc1S(N)(=O)=O
InChIInChI=1S/C12H17FN2O3S/c1-2-3-4-5-12(16)15-10-8-9(13)6-7-11(10)19(14,17)18/h6-8H,2-5H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyMSQVMGVNTCTBDA-UHFFFAOYSA-N
XLogP1.99
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-fluoro-2-sulfamoylphenyl)butanamide
CID 61130555
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N-(2-acetyl-5-fluorophenyl)hexanamide
CID 134838047
N-(4-fluoro-2-methylphenyl)hexanamide
CID 17069266
N-(2-fluoro-4-sulfamoylphenyl)octanamide
CID 43246665
N-(4-amino-2-fluorophenyl)heptanamide
CID 28691330
N-(5-fluoro-2-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61130568
5-bromo-N-(2,5-difluorophenyl)pentanamide
CID 103601723
5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide
CID 61130930
3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113136791
N-(2-fluorophenyl)hexanamide
CID 3481165

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-sulfamoylphenyl)hexanamide?
The IUPAC name of N-(5-fluoro-2-sulfamoylphenyl)hexanamide (CID 61131111) is N-(5-fluoro-2-sulfamoylphenyl)hexanamide.
What is the SMILES notation for N-(5-fluoro-2-sulfamoylphenyl)hexanamide?
The canonical SMILES for N-(5-fluoro-2-sulfamoylphenyl)hexanamide is CCCCCC(=O)Nc1cc(F)ccc1S(N)(=O)=O.
What is the InChIKey of N-(5-fluoro-2-sulfamoylphenyl)hexanamide?
The InChIKey is MSQVMGVNTCTBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-2-3-4-5-12(16)15-10-8-9(13)6-7-11(10)19(14,17)18/h6-8H,2-5H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(5-fluoro-2-sulfamoylphenyl)hexanamide?
N-(5-fluoro-2-sulfamoylphenyl)hexanamide has a molecular weight of 288.34 g/mol, XLogP of 1.99, 6 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)hexanamide is sourced from PubChem (CID 61131111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).