N-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide

C18H23NO3S — CID 113100959

IUPACN-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOc2cccc(C)c2C)c(C)c1
InChIInChI=1S/C18H23NO3S/c1-13-8-9-18(15(3)12-13)23(20,21)19-10-11-22-17-7-5-6-14(2)16(17)4/h5-9,12,19H,10-11H2,1-4H3
InChIKeyZGRVJWYCQFUPJB-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.28
Rot. Bonds6

About N-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide

N-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 113100959) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide
PubChem CID113100959
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOc2cccc(C)c2C)c(C)c1
InChIInChI=1S/C18H23NO3S/c1-13-8-9-18(15(3)12-13)23(20,21)19-10-11-22-17-7-5-6-14(2)16(17)4/h5-9,12,19H,10-11H2,1-4H3
InChIKeyZGRVJWYCQFUPJB-UHFFFAOYSA-N
XLogP3.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxy-5-methylbenzenesulfonamide
CID 113100965
N-[2-(2,3-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100958
2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101162
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide
CID 108573042
N-[2-(2,3-dimethylphenoxy)ethyl]-4-ethylbenzenesulfonamide
CID 113100960
N-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide
CID 113100955
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113102991
N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113100982
N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 30867090
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 113102997
4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113101876
N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113099217

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide (CID 113100959) is N-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCOc2cccc(C)c2C)c(C)c1.
What is the InChIKey of N-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is ZGRVJWYCQFUPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-13-8-9-18(15(3)12-13)23(20,21)19-10-11-22-17-7-5-6-14(2)16(17)4/h5-9,12,19H,10-11H2,1-4H3.
What are the key properties of N-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide?
N-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113100959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).