N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide

C16H19NO3S — CID 3830787

IUPACN-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccc(C)c2C)cc1
InChIInChI=1S/C16H19NO3S/c1-12-5-4-6-14(13(12)2)11-17-21(18,19)16-9-7-15(20-3)8-10-16/h4-10,17H,11H2,1-3H3
InChIKeyXOADMIXIMWBLSL-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.79
Rot. Bonds5

About N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide

N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 3830787) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide
PubChem CID3830787
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccc(C)c2C)cc1
InChIInChI=1S/C16H19NO3S/c1-12-5-4-6-14(13(12)2)11-17-21(18,19)16-9-7-15(20-3)8-10-16/h4-10,17H,11H2,1-3H3
InChIKeyXOADMIXIMWBLSL-UHFFFAOYSA-N
XLogP2.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 115753767
N-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 129241457
N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline
CID 54944362
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
CID 110445902
4-methoxy-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 4204453
N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 58009712
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371074
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 3829600
[4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate
CID 57422344

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide (CID 3830787) is N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cccc(C)c2C)cc1.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is XOADMIXIMWBLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-5-4-6-14(13(12)2)11-17-21(18,19)16-9-7-15(20-3)8-10-16/h4-10,17H,11H2,1-3H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide?
N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3830787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).