3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide

C16H20N2O2S — CID 65486467

IUPAC3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCN(CCc1ccccc1)S(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C16H20N2O2S/c1-18(11-10-14-6-3-2-4-7-14)21(19,20)16-9-5-8-15(12-16)13-17/h2-9,12H,10-11,13,17H2,1H3
InChIKeyAMFNGOISSCMPEJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.01
Rot. Bonds6

About 3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide

3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 65486467) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID65486467
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCN(CCc1ccccc1)S(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C16H20N2O2S/c1-18(11-10-14-6-3-2-4-7-14)21(19,20)16-9-5-8-15(12-16)13-17/h2-9,12H,10-11,13,17H2,1H3
InChIKeyAMFNGOISSCMPEJ-UHFFFAOYSA-N
XLogP2.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333565
3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 43587419
2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide
CID 43374208
3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 54884408
3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
CID 16791515
4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide
CID 141141198
N-methyl-N-(5-phenylpentyl)benzenesulfonamide
CID 22024838
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
N-[2-(dimethylamino)ethyl]-3-ethyl-N-methylbenzenesulfonamide
CID 71155043
3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265789
4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 87032847
4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61068586

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide (CID 65486467) is 3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide is CN(CCc1ccccc1)S(=O)(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is AMFNGOISSCMPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-18(11-10-14-6-3-2-4-7-14)21(19,20)16-9-5-8-15(12-16)13-17/h2-9,12H,10-11,13,17H2,1H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide?
3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 65486467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).