2-(2,3-dimethylphenoxy)-3-ethylbenzenesulfonamide

C16H19NO3S — CID 69237538

IUPAC2-(2,3-dimethylphenoxy)-3-ethylbenzenesulfonamide
SMILESCCc1cccc(S(N)(=O)=O)c1Oc1cccc(C)c1C
InChIInChI=1S/C16H19NO3S/c1-4-13-8-6-10-15(21(17,18)19)16(13)20-14-9-5-7-11(2)12(14)3/h5-10H,4H2,1-3H3,(H2,17,18,19)
InChIKeyNOTDESFSKDVONN-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.31
Rot. Bonds4

About 2-(2,3-dimethylphenoxy)-3-ethylbenzenesulfonamide

2-(2,3-dimethylphenoxy)-3-ethylbenzenesulfonamide (PubChem CID 69237538) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-3-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-3-ethylbenzenesulfonamide
PubChem CID69237538
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-(2,3-dimethylphenoxy)-3-ethylbenzenesulfonamide
SMILESCCc1cccc(S(N)(=O)=O)c1Oc1cccc(C)c1C
InChIInChI=1S/C16H19NO3S/c1-4-13-8-6-10-15(21(17,18)19)16(13)20-14-9-5-7-11(2)12(14)3/h5-10H,4H2,1-3H3,(H2,17,18,19)
InChIKeyNOTDESFSKDVONN-UHFFFAOYSA-N
XLogP3.31
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-3-ethylbenzenesulfonamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-3-ethylbenzenesulfonamide (CID 69237538) is 2-(2,3-dimethylphenoxy)-3-ethylbenzenesulfonamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-3-ethylbenzenesulfonamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-3-ethylbenzenesulfonamide is CCc1cccc(S(N)(=O)=O)c1Oc1cccc(C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-3-ethylbenzenesulfonamide?
The InChIKey is NOTDESFSKDVONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-4-13-8-6-10-15(21(17,18)19)16(13)20-14-9-5-7-11(2)12(14)3/h5-10H,4H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-(2,3-dimethylphenoxy)-3-ethylbenzenesulfonamide?
2-(2,3-dimethylphenoxy)-3-ethylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-3-ethylbenzenesulfonamide is sourced from PubChem (CID 69237538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).