N-(2-methoxy-2-phenylethyl)-N,4-dimethylbenzenesulfonamide

C17H21NO3S — CID 91711154

IUPACN-(2-methoxy-2-phenylethyl)-N,4-dimethylbenzenesulfonamide
SMILESCOC(CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H21NO3S/c1-14-9-11-16(12-10-14)22(19,20)18(2)13-17(21-3)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3
InChIKeyWCEMHQUXXSJOCV-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.00
Rot. Bonds6

About N-(2-methoxy-2-phenylethyl)-N,4-dimethylbenzenesulfonamide

N-(2-methoxy-2-phenylethyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 91711154) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-methoxy-2-phenylethyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-2-phenylethyl)-N,4-dimethylbenzenesulfonamide
PubChem CID91711154
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(2-methoxy-2-phenylethyl)-N,4-dimethylbenzenesulfonamide
SMILESCOC(CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H21NO3S/c1-14-9-11-16(12-10-14)22(19,20)18(2)13-17(21-3)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3
InChIKeyWCEMHQUXXSJOCV-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-phenylethyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-methoxy-2-phenylethyl)-N,4-dimethylbenzenesulfonamide (CID 91711154) is N-(2-methoxy-2-phenylethyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-methoxy-2-phenylethyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-methoxy-2-phenylethyl)-N,4-dimethylbenzenesulfonamide is COC(CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-(2-methoxy-2-phenylethyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is WCEMHQUXXSJOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-14-9-11-16(12-10-14)22(19,20)18(2)13-17(21-3)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3.
What are the key properties of N-(2-methoxy-2-phenylethyl)-N,4-dimethylbenzenesulfonamide?
N-(2-methoxy-2-phenylethyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-phenylethyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 91711154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).