1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide

C15H18N2O2S — CID 43256235

IUPAC1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C15H18N2O2S/c1-17(11-13-6-3-2-4-7-13)20(18,19)12-14-8-5-9-15(16)10-14/h2-10H,11-12,16H2,1H3
InChIKeyALUKCTNRYYCEAW-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.23
Rot. Bonds5

About 1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide

1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide (PubChem CID 43256235) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide
PubChem CID43256235
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C15H18N2O2S/c1-17(11-13-6-3-2-4-7-13)20(18,19)12-14-8-5-9-15(16)10-14/h2-10H,11-12,16H2,1H3
InChIKeyALUKCTNRYYCEAW-UHFFFAOYSA-N
XLogP2.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 43527299
1-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylmethanesulfonamide
CID 61109757
N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 55531353
1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene
CID 43602691
1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide
CID 43266860
1-(3-aminophenyl)-N-methyl-N-pyridin-2-ylmethanesulfonamide
CID 43256541
1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene
CID 114804340
1-(3-aminophenyl)-N-cyclohexyl-N-methylmethanesulfonamide
CID 43255876
1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide
CID 107733485
5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide
CID 43256238
methyl 3-[(3-aminophenyl)methyl-methylsulfamoyl]propanoate
CID 61458585
4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide
CID 43256233

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide (CID 43256235) is 1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide is CN(Cc1ccccc1)S(=O)(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide?
The InChIKey is ALUKCTNRYYCEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-17(11-13-6-3-2-4-7-13)20(18,19)12-14-8-5-9-15(16)10-14/h2-10H,11-12,16H2,1H3.
What are the key properties of 1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide?
1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide is sourced from PubChem (CID 43256235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).