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

C18H23NO4S — CID 113100965

IUPACN-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCOc1cccc(C)c1C
InChIInChI=1S/C18H23NO4S/c1-13-8-9-17(22-4)18(12-13)24(20,21)19-10-11-23-16-7-5-6-14(2)15(16)3/h5-9,12,19H,10-11H2,1-4H3
InChIKeyRYYNHSIVQWDSPH-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.98
Rot. Bonds7

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

N-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 113100965) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
PubChem CID113100965
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCOc1cccc(C)c1C
InChIInChI=1S/C18H23NO4S/c1-13-8-9-17(22-4)18(12-13)24(20,21)19-10-11-23-16-7-5-6-14(2)15(16)3/h5-9,12,19H,10-11H2,1-4H3
InChIKeyRYYNHSIVQWDSPH-UHFFFAOYSA-N
XLogP2.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113100959
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113102100
N-[2-(2,3-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100958
2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101162
4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113101876
2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide
CID 113100388
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113102991
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide
CID 113102220
N-but-3-ynyl-2-methoxy-5-methylbenzenesulfonamide
CID 90537993
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113101853

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide (CID 113100965) is N-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCCOc1cccc(C)c1C.
What is the InChIKey of N-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is RYYNHSIVQWDSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-13-8-9-17(22-4)18(12-13)24(20,21)19-10-11-23-16-7-5-6-14(2)15(16)3/h5-9,12,19H,10-11H2,1-4H3.
What are the key properties of N-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
N-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 113100965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).