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

C14H21FN2O3S — CID 43246665

IUPACN-(2-fluoro-4-sulfamoylphenyl)octanamide
SMILESCCCCCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C14H21FN2O3S/c1-2-3-4-5-6-7-14(18)17-13-9-8-11(10-12(13)15)21(16,19)20/h8-10H,2-7H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyMQSYAHXMMDFPFU-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.77
Rot. Bonds8

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

N-(2-fluoro-4-sulfamoylphenyl)octanamide (PubChem CID 43246665) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(2-fluoro-4-sulfamoylphenyl)octanamide.

Molecular Properties

Compound NameN-(2-fluoro-4-sulfamoylphenyl)octanamide
PubChem CID43246665
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-(2-fluoro-4-sulfamoylphenyl)octanamide
SMILESCCCCCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C14H21FN2O3S/c1-2-3-4-5-6-7-14(18)17-13-9-8-11(10-12(13)15)21(16,19)20/h8-10H,2-7H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyMQSYAHXMMDFPFU-UHFFFAOYSA-N
XLogP2.77
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.77
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-(4-amino-2-fluorophenyl)heptanamide
CID 28691330
3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide
CID 55091208
N-(4-chloro-2-fluorophenyl)dodecanamide
CID 4598315
N-(4-chloro-2-fluorophenyl)heptanamide
CID 4055752
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N-(2-chloro-4-sulfamoylphenyl)pentanamide
CID 43134096
N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246651
N-(5-fluoro-2-sulfamoylphenyl)hexanamide
CID 61131111
1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea
CID 79162190
N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide
CID 63821086
N-(2-fluorophenyl)hexanamide
CID 3481165
N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide
CID 62588775

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)octanamide?
The IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)octanamide (CID 43246665) is N-(2-fluoro-4-sulfamoylphenyl)octanamide.
What is the SMILES notation for N-(2-fluoro-4-sulfamoylphenyl)octanamide?
The canonical SMILES for N-(2-fluoro-4-sulfamoylphenyl)octanamide is CCCCCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of N-(2-fluoro-4-sulfamoylphenyl)octanamide?
The InChIKey is MQSYAHXMMDFPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-2-3-4-5-6-7-14(18)17-13-9-8-11(10-12(13)15)21(16,19)20/h8-10H,2-7H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(2-fluoro-4-sulfamoylphenyl)octanamide?
N-(2-fluoro-4-sulfamoylphenyl)octanamide has a molecular weight of 316.40 g/mol, XLogP of 2.77, 8 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)octanamide is sourced from PubChem (CID 43246665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).