4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide

C12H19FN2O3S — CID 106054066

IUPAC4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide
SMILESCOCCCCNS(=O)(=O)c1ccc(CN)cc1F
InChIInChI=1S/C12H19FN2O3S/c1-18-7-3-2-6-15-19(16,17)12-5-4-10(9-14)8-11(12)13/h4-5,8,15H,2-3,6-7,9,14H2,1H3
InChIKeyUDEOCXWRGSURQL-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.99
Rot. Bonds8

About 4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide

4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide (PubChem CID 106054066) has the molecular formula C12H19FN2O3S and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide
PubChem CID106054066
Molecular FormulaC12H19FN2O3S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC Name4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide
SMILESCOCCCCNS(=O)(=O)c1ccc(CN)cc1F
InChIInChI=1S/C12H19FN2O3S/c1-18-7-3-2-6-15-19(16,17)12-5-4-10(9-14)8-11(12)13/h4-5,8,15H,2-3,6-7,9,14H2,1H3
InChIKeyUDEOCXWRGSURQL-UHFFFAOYSA-N
XLogP0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 106051244
5-(aminomethyl)-3-fluoro-N-(4-methoxybutyl)-2-methylbenzenesulfonamide
CID 106053966
5-(aminomethyl)-3-fluoro-N-(5-methoxypentyl)-2-methylbenzenesulfonamide
CID 106092701
5-(aminomethyl)-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
CID 106053951
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide
CID 116529485
2,3-difluoro-5-(hydroxymethyl)-N-(5-methoxypentyl)benzenesulfonamide
CID 106002047
4-(aminomethyl)-2-fluoro-N-[3-(triazol-1-yl)propyl]benzenesulfonamide
CID 106077035
4-(aminomethyl)-N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 79190769
3-(aminomethyl)-2,4-dichloro-N-(5-methoxypentyl)benzenesulfonamide
CID 106092715
4-(aminomethyl)-2-chloro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106016293
N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 120583305
5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110759335

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide (CID 106054066) is 4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide is COCCCCNS(=O)(=O)c1ccc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide?
The InChIKey is UDEOCXWRGSURQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3S/c1-18-7-3-2-6-15-19(16,17)12-5-4-10(9-14)8-11(12)13/h4-5,8,15H,2-3,6-7,9,14H2,1H3.
What are the key properties of 4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide?
4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide has a molecular weight of 290.36 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide is sourced from PubChem (CID 106054066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).