3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide

C14H15FN2O3S — CID 28718355

IUPAC3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2F)cc1CN
InChIInChI=1S/C14H15FN2O3S/c1-20-14-7-6-11(8-10(14)9-16)21(18,19)17-13-5-3-2-4-12(13)15/h2-8,17H,9,16H2,1H3
InChIKeyIZLCXOZOXOAOOT-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.09
Rot. Bonds5

About 3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide

3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide (PubChem CID 28718355) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
PubChem CID28718355
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2F)cc1CN
InChIInChI=1S/C14H15FN2O3S/c1-20-14-7-6-11(8-10(14)9-16)21(18,19)17-13-5-3-2-4-12(13)15/h2-8,17H,9,16H2,1H3
InChIKeyIZLCXOZOXOAOOT-UHFFFAOYSA-N
XLogP2.09
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide
CID 106030152
3-(aminomethyl)-N-(2-bromophenyl)-4-methoxybenzenesulfonamide
CID 106061150
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812258
3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide
CID 106061490
3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide
CID 43257631
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777
4-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 9246337
3-fluoro-4-methoxy-N-(2-phenylphenyl)benzenesulfonamide
CID 39825493

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide (CID 28718355) is 3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1CN.
What is the InChIKey of 3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide?
The InChIKey is IZLCXOZOXOAOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-20-14-7-6-11(8-10(14)9-16)21(18,19)17-13-5-3-2-4-12(13)15/h2-8,17H,9,16H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide?
3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 28718355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).