N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide

C17H21NO3S — CID 668979

IUPACN-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C17H21NO3S/c1-12-9-13(2)17(14(3)10-12)22(19,20)18-11-15-5-7-16(21-4)8-6-15/h5-10,18H,11H2,1-4H3
InChIKeyXKJYJMDMRFQNGN-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.10
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide

N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 668979) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID668979
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C17H21NO3S/c1-12-9-13(2)17(14(3)10-12)22(19,20)18-11-15-5-7-16(21-4)8-6-15/h5-10,18H,11H2,1-4H3
InChIKeyXKJYJMDMRFQNGN-UHFFFAOYSA-N
XLogP3.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium
CID 9191357
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 3602682
2,4,6-trimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 47015636
4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 94249243
2,6-dimethoxy-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzenesulfonamide
CID 166221599
N-ethyl-4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]benzamide
CID 55905207
methyl 3-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]benzoate
CID 134944324
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
N-[(4-bromophenyl)methyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3781710
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 91669706

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide (CID 668979) is N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide is COc1ccc(CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is XKJYJMDMRFQNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-12-9-13(2)17(14(3)10-12)22(19,20)18-11-15-5-7-16(21-4)8-6-15/h5-10,18H,11H2,1-4H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide?
N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 668979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).