2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide

C19H25NO3S — CID 113101162

IUPAC2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCOc2c(C)ccc(C)c2C)c1
InChIInChI=1S/C19H25NO3S/c1-13-6-7-15(3)18(12-13)24(21,22)20-10-11-23-19-16(4)9-8-14(2)17(19)5/h6-9,12,20H,10-11H2,1-5H3
InChIKeyPDOLXIMRKHFYME-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.59
Rot. Bonds6

About 2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide

2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide (PubChem CID 113101162) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
PubChem CID113101162
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCOc2c(C)ccc(C)c2C)c1
InChIInChI=1S/C19H25NO3S/c1-13-6-7-15(3)18(12-13)24(21,22)20-10-11-23-19-16(4)9-8-14(2)17(19)5/h6-9,12,20H,10-11H2,1-5H3
InChIKeyPDOLXIMRKHFYME-UHFFFAOYSA-N
XLogP3.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.59
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

3,4-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101160
N-[2-(4-bromophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113099742
N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 30867090
N-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113100959
N-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113100965
N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2,5-dimethylbenzenesulfonamide
CID 2252932
2,5-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide
CID 113101603
N-[3-(2-aminoethoxy)propyl]-2,5-dimethylbenzenesulfonamide
CID 106308141
4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101166
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113102991
2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene
CID 113101153
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide (CID 113101162) is 2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCOc2c(C)ccc(C)c2C)c1.
What is the InChIKey of 2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide?
The InChIKey is PDOLXIMRKHFYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-13-6-7-15(3)18(12-13)24(21,22)20-10-11-23-19-16(4)9-8-14(2)17(19)5/h6-9,12,20H,10-11H2,1-5H3.
What are the key properties of 2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide?
2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide has a molecular weight of 347.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 113101162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).