2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide

C15H18N2O2S — CID 60903937

IUPAC2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1ccccc1CN
InChIInChI=1S/C15H18N2O2S/c1-12-6-2-3-8-14(12)11-17-20(18,19)15-9-5-4-7-13(15)10-16/h2-9,17H,10-11,16H2,1H3
InChIKeyFLLJIOXCTYYVCW-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.93
Rot. Bonds5

About 2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide

2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 60903937) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID60903937
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1ccccc1CN
InChIInChI=1S/C15H18N2O2S/c1-12-6-2-3-8-14(12)11-17-20(18,19)15-9-5-4-7-13(15)10-16/h2-9,17H,10-11,16H2,1H3
InChIKeyFLLJIOXCTYYVCW-UHFFFAOYSA-N
XLogP1.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62846126
N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 103110630
2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 16781445
2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903343
2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406487
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104759943
4-amino-N-[(2-methylphenyl)methyl]butane-1-sulfonamide
CID 54952252
2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62145809
2-(aminomethyl)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066338
2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106335927
3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60904241
1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 60979279

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide (CID 60903937) is 2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide is Cc1ccccc1CNS(=O)(=O)c1ccccc1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is FLLJIOXCTYYVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12-6-2-3-8-14(12)11-17-20(18,19)15-9-5-4-7-13(15)10-16/h2-9,17H,10-11,16H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide?
2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 60903937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).