5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide

C15H17FN2O2S — CID 28717278

IUPAC5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(CN)cc1S(=O)(=O)NCc1ccccc1F
InChIInChI=1S/C15H17FN2O2S/c1-11-6-7-12(9-17)8-15(11)21(19,20)18-10-13-4-2-3-5-14(13)16/h2-8,18H,9-10,17H2,1H3
InChIKeyDRMYSWCOZPABOL-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.07
Rot. Bonds5

About 5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide

5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide (PubChem CID 28717278) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide
PubChem CID28717278
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(CN)cc1S(=O)(=O)NCc1ccccc1F
InChIInChI=1S/C15H17FN2O2S/c1-11-6-7-12(9-17)8-15(11)21(19,20)18-10-13-4-2-3-5-14(13)16/h2-8,18H,9-10,17H2,1H3
InChIKeyDRMYSWCOZPABOL-UHFFFAOYSA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28716292
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 39620815
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 63359408
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide
CID 63359101
N-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 75493750
5-[(2-fluorophenyl)methylsulfamoyl]-2-methylbenzamide
CID 34033824
2-amino-5-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 60986102
5-(aminomethyl)-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 106013710
2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903937
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
CID 106996572
4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28525638

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide (CID 28717278) is 5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide is Cc1ccc(CN)cc1S(=O)(=O)NCc1ccccc1F.
What is the InChIKey of 5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is DRMYSWCOZPABOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11-6-7-12(9-17)8-15(11)21(19,20)18-10-13-4-2-3-5-14(13)16/h2-8,18H,9-10,17H2,1H3.
What are the key properties of 5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide?
5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 28717278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).