N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide

C17H21NO3S — CID 26003303

IUPACN-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide
SMILESCCOc1ccccc1CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H21NO3S/c1-4-21-17-8-6-5-7-15(17)13-18(3)22(19,20)16-11-9-14(2)10-12-16/h5-12H,4,13H2,1-3H3
InChIKeyNVDGSWDEQXKLAS-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.21
Rot. Bonds6

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

N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 26003303) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide
PubChem CID26003303
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide
SMILESCCOc1ccccc1CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H21NO3S/c1-4-21-17-8-6-5-7-15(17)13-18(3)22(19,20)16-11-9-14(2)10-12-16/h5-12H,4,13H2,1-3H3
InChIKeyNVDGSWDEQXKLAS-UHFFFAOYSA-N
XLogP3.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 94606005
N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 61355366
N-[(2-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94605999
2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 55957400
N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide
CID 35767256
5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61059090
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 107651171
4-(dimethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide
CID 55860503
4-ethoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide
CID 34107068
N-[(5-acetyl-2-ethoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 112787896
N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide
CID 7937784
methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate
CID 26528290

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide (CID 26003303) is N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide is CCOc1ccccc1CN(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is NVDGSWDEQXKLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-4-21-17-8-6-5-7-15(17)13-18(3)22(19,20)16-11-9-14(2)10-12-16/h5-12H,4,13H2,1-3H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide?
N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 26003303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).