N-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide

C16H20N2O2S — CID 103110484

IUPACN-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide
SMILESCc1c(N)cccc1CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-13-15(8-5-9-16(13)17)12-18-21(19,20)11-10-14-6-3-2-4-7-14/h2-9,18H,10-12,17H2,1H3
InChIKeyLKJWCUREULYXKL-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.24
Rot. Bonds6

About N-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide

N-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide (PubChem CID 103110484) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide
PubChem CID103110484
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide
SMILESCc1c(N)cccc1CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-13-15(8-5-9-16(13)17)12-18-21(19,20)11-10-14-6-3-2-4-7-14/h2-9,18H,10-12,17H2,1H3
InChIKeyLKJWCUREULYXKL-UHFFFAOYSA-N
XLogP2.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-amino-2-methylphenyl)methyl]propane-1-sulfonamide
CID 103110469
1-amino-3-[(dimethylsulfamoylamino)methyl]-2-methylbenzene
CID 103110527
N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 103110630
N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide
CID 110731727
N-[[3-(chloromethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 80690880
N'-hydroxy-2-(2-phenylethylsulfonylamino)ethanimidamide
CID 80687011
N-[[3-(bromomethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 114298015
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide
CID 110324486
N-[[4-(bromomethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 107233959
N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-phenylethanesulfonamide
CID 110641829
2-methyl-3-(3-phenylpropylsulfonyl)aniline
CID 81190311
N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
CID 110288627

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide (CID 103110484) is N-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide is Cc1c(N)cccc1CNS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide?
The InChIKey is LKJWCUREULYXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-13-15(8-5-9-16(13)17)12-18-21(19,20)11-10-14-6-3-2-4-7-14/h2-9,18H,10-12,17H2,1H3.
What are the key properties of N-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide?
N-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 103110484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).