4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide

C16H20N2O2S — CID 106996757

IUPAC4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc(CN)cc2C)c1
InChIInChI=1S/C16H20N2O2S/c1-12-4-3-5-15(8-12)11-18-21(19,20)16-7-6-14(10-17)9-13(16)2/h3-9,18H,10-11,17H2,1-2H3
InChIKeyHEDPHLZDUZYSNV-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.24
Rot. Bonds5

About 4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide

4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide (PubChem CID 106996757) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
PubChem CID106996757
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc(CN)cc2C)c1
InChIInChI=1S/C16H20N2O2S/c1-12-4-3-5-15(8-12)11-18-21(19,20)16-7-6-14(10-17)9-13(16)2/h3-9,18H,10-11,17H2,1-2H3
InChIKeyHEDPHLZDUZYSNV-UHFFFAOYSA-N
XLogP2.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 106996904
3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60902763
2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide
CID 106996555
1-methyl-3-[(sulfamoylamino)methyl]benzene
CID 66917095
4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 61400770
4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide
CID 106996679
2-bromo-4-fluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47264299
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 107212459
2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47155184
3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide
CID 106996704
4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 106997096
2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 62146693

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide (CID 106996757) is 4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide is Cc1cccc(CNS(=O)(=O)c2ccc(CN)cc2C)c1.
What is the InChIKey of 4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is HEDPHLZDUZYSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-4-3-5-15(8-12)11-18-21(19,20)16-7-6-14(10-17)9-13(16)2/h3-9,18H,10-11,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide?
4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106996757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).