N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide

C16H19NO4S — CID 110756497

IUPACN-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)CCc2ccccc2)c(OC)c1
InChIInChI=1S/C16H19NO4S/c1-20-14-8-9-15(16(12-14)21-2)17-22(18,19)11-10-13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3
InChIKeyCETAFIHHTXXOQT-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.69
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide

N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide (PubChem CID 110756497) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide
PubChem CID110756497
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)CCc2ccccc2)c(OC)c1
InChIInChI=1S/C16H19NO4S/c1-20-14-8-9-15(16(12-14)21-2)17-22(18,19)11-10-13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3
InChIKeyCETAFIHHTXXOQT-UHFFFAOYSA-N
XLogP2.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid
CID 28774020
N-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 112999271
N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106047695
N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 63258916
N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110423119
N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110426046
N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
N-(2-hydroxy-4-methylphenyl)-2-phenylethanesulfonamide
CID 80686702
N-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide
CID 114294158
N-benzyl-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408872
N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide
CID 79001394
N-(2,4-dimethoxyphenyl)-4-phenoxybenzenesulfonamide
CID 46764272

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide (CID 110756497) is N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide is COc1ccc(NS(=O)(=O)CCc2ccccc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide?
The InChIKey is CETAFIHHTXXOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-20-14-8-9-15(16(12-14)21-2)17-22(18,19)11-10-13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide?
N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 110756497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).