N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide

C17H21NO4S — CID 94639909

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(C)ccc2C)c(OC)c1
InChIInChI=1S/C17H21NO4S/c1-12-5-6-13(2)17(9-12)23(19,20)18-11-14-7-8-15(21-3)10-16(14)22-4/h5-10,18H,11H2,1-4H3
InChIKeyDJWVQYCNMLIZJF-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.80
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide

N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 94639909) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
PubChem CID94639909
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(C)ccc2C)c(OC)c1
InChIInChI=1S/C17H21NO4S/c1-12-5-6-13(2)17(9-12)23(19,20)18-11-14-7-8-15(21-3)10-16(14)22-4/h5-10,18H,11H2,1-4H3
InChIKeyDJWVQYCNMLIZJF-UHFFFAOYSA-N
XLogP2.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
CID 94639542
N-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4657729
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline
CID 775191
N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110780736
2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide
CID 5157003
5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
CID 58807083
N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 90536208
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110779879
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide (CID 94639909) is N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide is COc1ccc(CNS(=O)(=O)c2cc(C)ccc2C)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is DJWVQYCNMLIZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-12-5-6-13(2)17(9-12)23(19,20)18-11-14-7-8-15(21-3)10-16(14)22-4/h5-10,18H,11H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide?
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.80, 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]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 94639909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).