2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide

C17H20ClNO3S — CID 26544844

IUPAC2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide
SMILESCc1cc(C)cc(OCCN(C)S(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C17H20ClNO3S/c1-13-10-14(2)12-15(11-13)22-9-8-19(3)23(20,21)17-7-5-4-6-16(17)18/h4-7,10-12H,8-9H2,1-3H3
InChIKeyDAVJXSXWDMNMHE-UHFFFAOYSA-N
MW353.87 g/mol
LogP3.66
Rot. Bonds6

About 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide

2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide (PubChem CID 26544844) has the molecular formula C17H20ClNO3S and a molecular weight of 353.87 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide
PubChem CID26544844
Molecular FormulaC17H20ClNO3S
Molecular Weight353.87 g/mol
Exact Mass353.09
IUPAC Name2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide
SMILESCc1cc(C)cc(OCCN(C)S(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C17H20ClNO3S/c1-13-10-14(2)12-15(11-13)22-9-8-19(3)23(20,21)17-7-5-4-6-16(17)18/h4-7,10-12H,8-9H2,1-3H3
InChIKeyDAVJXSXWDMNMHE-UHFFFAOYSA-N
XLogP3.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide (CID 26544844) is 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide is Cc1cc(C)cc(OCCN(C)S(=O)(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide?
The InChIKey is DAVJXSXWDMNMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3S/c1-13-10-14(2)12-15(11-13)22-9-8-19(3)23(20,21)17-7-5-4-6-16(17)18/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide?
2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide has a molecular weight of 353.87 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 26544844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).