5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide

C16H20N2O2S — CID 28717455

IUPAC5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(CN)ccc2C)c(C)c1
InChIInChI=1S/C16H20N2O2S/c1-11-4-7-15(13(3)8-11)18-21(19,20)16-9-14(10-17)6-5-12(16)2/h4-9,18H,10,17H2,1-3H3
InChIKeyCMUGDJMLJXBDDC-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.87
Rot. Bonds4

About 5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide

5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide (PubChem CID 28717455) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
PubChem CID28717455
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(CN)ccc2C)c(C)c1
InChIInChI=1S/C16H20N2O2S/c1-11-4-7-15(13(3)8-11)18-21(19,20)16-9-14(10-17)6-5-12(16)2/h4-9,18H,10,17H2,1-3H3
InChIKeyCMUGDJMLJXBDDC-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-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide
CID 28717477
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 106029190
4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 106996652
5-(aminomethyl)-2-bromo-N-(2,4-dimethylphenyl)thiophene-3-sulfonamide
CID 106060392
ethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate
CID 7908241
5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 114624853
5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 28717561
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 28716515
5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467168
3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 55603621
N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 28715386

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide (CID 28717455) is 5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(CN)ccc2C)c(C)c1.
What is the InChIKey of 5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is CMUGDJMLJXBDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-4-7-15(13(3)8-11)18-21(19,20)16-9-14(10-17)6-5-12(16)2/h4-9,18H,10,17H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide?
5-(aminomethyl)-N-(2,4-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-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 28717455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).