4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide

C12H19FN2O4S — CID 106051244

IUPAC4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
SMILESCOCCOCCNS(=O)(=O)c1ccc(CN)cc1F
InChIInChI=1S/C12H19FN2O4S/c1-18-6-7-19-5-4-15-20(16,17)12-3-2-10(9-14)8-11(12)13/h2-3,8,15H,4-7,9,14H2,1H3
InChIKeyZUDUYVBCSFBMIT-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.23
Rot. Bonds9

About 4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide

4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide (PubChem CID 106051244) has the molecular formula C12H19FN2O4S and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
PubChem CID106051244
Molecular FormulaC12H19FN2O4S
Molecular Weight306.36 g/mol
Exact Mass306.10
IUPAC Name4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
SMILESCOCCOCCNS(=O)(=O)c1ccc(CN)cc1F
InChIInChI=1S/C12H19FN2O4S/c1-18-6-7-19-5-4-15-20(16,17)12-3-2-10(9-14)8-11(12)13/h2-3,8,15H,4-7,9,14H2,1H3
InChIKeyZUDUYVBCSFBMIT-UHFFFAOYSA-N
XLogP0.23
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide
CID 106054066
5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 106051201
5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]-2-fluorobenzenesulfonamide
CID 106091865
5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide
CID 106051218
4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 113370382
4-(aminomethyl)-N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 79190769
2-fluoro-4-(methylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]benzenesulfonamide
CID 106085387
5-(aminomethyl)-3-fluoro-N-(4-methoxybutyl)-2-methylbenzenesulfonamide
CID 106053966
4-(aminomethyl)-2-bromo-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide
CID 106091823
5-(aminomethyl)-3-fluoro-N-(5-methoxypentyl)-2-methylbenzenesulfonamide
CID 106092701
5-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzenesulfonamide
CID 62156919
2-hydroxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81241088

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide (CID 106051244) is 4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide is COCCOCCNS(=O)(=O)c1ccc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide?
The InChIKey is ZUDUYVBCSFBMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O4S/c1-18-6-7-19-5-4-15-20(16,17)12-3-2-10(9-14)8-11(12)13/h2-3,8,15H,4-7,9,14H2,1H3.
What are the key properties of 4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide?
4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide has a molecular weight of 306.36 g/mol, XLogP of 0.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 106051244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).