2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide

C17H21NO3S — CID 8796550

IUPAC2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C17H21NO3S/c1-13-9-10-16(21-4)17(11-13)22(19,20)18(3)12-15-8-6-5-7-14(15)2/h5-11H,12H2,1-4H3
InChIKeyGHGMKKABHIXYFK-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.13
Rot. Bonds5

About 2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide

2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 8796550) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID8796550
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C17H21NO3S/c1-13-9-10-16(21-4)17(11-13)22(19,20)18(3)12-15-8-6-5-7-14(15)2/h5-11H,12H2,1-4H3
InChIKeyGHGMKKABHIXYFK-UHFFFAOYSA-N
XLogP3.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8797935
2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 9190925
N-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8795214
2-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N,5-dimethylbenzenesulfonamide
CID 99844494
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate
CID 7473070
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2,4-trimethylbenzenesulfonamide
CID 8778152
N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8818376
2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715765
N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 107203068
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 90635944
2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 30328697
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1294281

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide (CID 8796550) is 2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)N(C)Cc1ccccc1C.
What is the InChIKey of 2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is GHGMKKABHIXYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-13-9-10-16(21-4)17(11-13)22(19,20)18(3)12-15-8-6-5-7-14(15)2/h5-11H,12H2,1-4H3.
What are the key properties of 2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 8796550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).