2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide

C14H15FN2O2S — CID 16781852

IUPAC2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1ccccc1CN
InChIInChI=1S/C14H15FN2O2S/c1-10-6-7-12(15)8-13(10)17-20(18,19)14-5-3-2-4-11(14)9-16/h2-8,17H,9,16H2,1H3
InChIKeyJIGMAFRYESPDMG-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.39
Rot. Bonds4

About 2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide

2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide (PubChem CID 16781852) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
PubChem CID16781852
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1ccccc1CN
InChIInChI=1S/C14H15FN2O2S/c1-10-6-7-12(15)8-13(10)17-20(18,19)14-5-3-2-4-11(14)9-16/h2-8,17H,9,16H2,1H3
InChIKeyJIGMAFRYESPDMG-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide
CID 106088506
2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 106031148
N-(5-fluoro-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62142787
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 43257739
N-[2-(aminomethyl)phenyl]-2-bromo-4-fluorobenzenesulfonamide
CID 64895248
2-(aminomethyl)-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62809509
5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 7939111
2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide
CID 16783174
N-(5-amino-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 16773575
2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide
CID 106088872
2-(aminomethyl)-5-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061701

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide (CID 16781852) is 2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide is Cc1ccc(F)cc1NS(=O)(=O)c1ccccc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide?
The InChIKey is JIGMAFRYESPDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-10-6-7-12(15)8-13(10)17-20(18,19)14-5-3-2-4-11(14)9-16/h2-8,17H,9,16H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide?
2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 16781852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).