N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide

C17H21NO4S — CID 110783185

IUPACN-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccccc2C)c(OC)cc1C
InChIInChI=1S/C17H21NO4S/c1-12-7-5-6-8-17(12)23(19,20)18-11-14-10-15(21-3)13(2)9-16(14)22-4/h5-10,18H,11H2,1-4H3
InChIKeyJGSIYQSKXLAOKN-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.80
Rot. Bonds6

About N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide

N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide (PubChem CID 110783185) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide
PubChem CID110783185
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccccc2C)c(OC)cc1C
InChIInChI=1S/C17H21NO4S/c1-12-7-5-6-8-17(12)23(19,20)18-11-14-10-15(21-3)13(2)9-16(14)22-4/h5-10,18H,11H2,1-4H3
InChIKeyJGSIYQSKXLAOKN-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

Analyze N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110779879
N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745
2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 8819063
N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide
CID 110783168
4-methoxy-2,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide
CID 110730435
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 94633814
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 94639909
2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 6457434
4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 19680723
N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 103110630
2-methoxy-N-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155516846
N-[(2-methoxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 26948552

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide (CID 110783185) is N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide is COc1cc(CNS(=O)(=O)c2ccccc2C)c(OC)cc1C.
What is the InChIKey of N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is JGSIYQSKXLAOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-12-7-5-6-8-17(12)23(19,20)18-11-14-10-15(21-3)13(2)9-16(14)22-4/h5-10,18H,11H2,1-4H3.
What are the key properties of N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide?
N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide 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-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 110783185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).