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

C16H20N2O2S — CID 28544654

IUPAC2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2ccccc2CN)cc1
InChIInChI=1S/C16H20N2O2S/c1-13-7-9-14(10-8-13)12-18(2)21(19,20)16-6-4-3-5-15(16)11-17/h3-10H,11-12,17H2,1-2H3
InChIKeyQVRSIXMPSKFHAT-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.27
Rot. Bonds5

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

2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 28544654) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
PubChem CID28544654
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2ccccc2CN)cc1
InChIInChI=1S/C16H20N2O2S/c1-13-7-9-14(10-8-13)12-18(2)21(19,20)16-6-4-3-5-15(16)11-17/h3-10H,11-12,17H2,1-2H3
InChIKeyQVRSIXMPSKFHAT-UHFFFAOYSA-N
XLogP2.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide (CID 28544654) is 2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide is Cc1ccc(CN(C)S(=O)(=O)c2ccccc2CN)cc1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is QVRSIXMPSKFHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-13-7-9-14(10-8-13)12-18(2)21(19,20)16-6-4-3-5-15(16)11-17/h3-10H,11-12,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 28544654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).