N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide

C16H19NO4S — CID 110780745

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccccc2C)c(OC)c1
InChIInChI=1S/C16H19NO4S/c1-12-6-4-5-7-16(12)22(18,19)17-11-13-8-9-14(20-2)10-15(13)21-3/h4-10,17H,11H2,1-3H3
InChIKeyMMDQGEFWOQYIRB-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.49
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide

N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide (PubChem CID 110780745) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
PubChem CID110780745
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccccc2C)c(OC)c1
InChIInChI=1S/C16H19NO4S/c1-12-6-4-5-7-16(12)22(18,19)17-11-13-8-9-14(20-2)10-15(13)21-3/h4-10,17H,11H2,1-3H3
InChIKeyMMDQGEFWOQYIRB-UHFFFAOYSA-N
XLogP2.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 94639909
N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110783185
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110779879
N-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4657729
N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylbenzenesulfonamide
CID 175751815
N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110780736
2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide
CID 5157003
1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
2-[3-[2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-fluorophenyl]acetamide
CID 175751838
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide (CID 110780745) is N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccccc2C)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is MMDQGEFWOQYIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-12-6-4-5-7-16(12)22(18,19)17-11-13-8-9-14(20-2)10-15(13)21-3/h4-10,17H,11H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 110780745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).