5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide

C16H20N2O2S — CID 28717477

IUPAC5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(CN)cc1S(=O)(=O)Nc1cccc(C)c1C
InChIInChI=1S/C16H20N2O2S/c1-11-5-4-6-15(13(11)3)18-21(19,20)16-9-14(10-17)8-7-12(16)2/h4-9,18H,10,17H2,1-3H3
InChIKeyCFKJRCUKDIQOJN-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.87
Rot. Bonds4

About 5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide

5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide (PubChem CID 28717477) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide
PubChem CID28717477
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(CN)cc1S(=O)(=O)Nc1cccc(C)c1C
InChIInChI=1S/C16H20N2O2S/c1-11-5-4-6-15(13(11)3)18-21(19,20)16-9-14(10-17)8-7-12(16)2/h4-9,18H,10,17H2,1-3H3
InChIKeyCFKJRCUKDIQOJN-UHFFFAOYSA-N
XLogP2.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 28717455
4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide
CID 106088126
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 106029190
4-(aminomethyl)-N-(3-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 106088177
4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
CID 106996572
5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide
CID 106061933
5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 28717561
5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 28716515
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 3949074
2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 62057436
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100565123
3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide
CID 106073882

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide (CID 28717477) is 5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide is Cc1ccc(CN)cc1S(=O)(=O)Nc1cccc(C)c1C.
What is the InChIKey of 5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is CFKJRCUKDIQOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-5-4-6-15(13(11)3)18-21(19,20)16-9-14(10-17)8-7-12(16)2/h4-9,18H,10,17H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide?
5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 28717477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).