4-ethoxy-2,3-dimethylbenzenesulfonamide

C10H15NO3S — CID 43164397

IUPAC4-ethoxy-2,3-dimethylbenzenesulfonamide
SMILESCCOc1ccc(S(N)(=O)=O)c(C)c1C
InChIInChI=1S/C10H15NO3S/c1-4-14-9-5-6-10(15(11,12)13)8(3)7(9)2/h5-6H,4H2,1-3H3,(H2,11,12,13)
InChIKeyFRMKTXVSUOALDH-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.35
Rot. Bonds3

About 4-ethoxy-2,3-dimethylbenzenesulfonamide

4-ethoxy-2,3-dimethylbenzenesulfonamide (PubChem CID 43164397) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-ethoxy-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-2,3-dimethylbenzenesulfonamide
PubChem CID43164397
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name4-ethoxy-2,3-dimethylbenzenesulfonamide
SMILESCCOc1ccc(S(N)(=O)=O)c(C)c1C
InChIInChI=1S/C10H15NO3S/c1-4-14-9-5-6-10(15(11,12)13)8(3)7(9)2/h5-6H,4H2,1-3H3,(H2,11,12,13)
InChIKeyFRMKTXVSUOALDH-UHFFFAOYSA-N
XLogP1.35
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-2,3-dimethylbenzenesulfonamide (CID 43164397) is 4-ethoxy-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-2,3-dimethylbenzenesulfonamide is CCOc1ccc(S(N)(=O)=O)c(C)c1C.
What is the InChIKey of 4-ethoxy-2,3-dimethylbenzenesulfonamide?
The InChIKey is FRMKTXVSUOALDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-4-14-9-5-6-10(15(11,12)13)8(3)7(9)2/h5-6H,4H2,1-3H3,(H2,11,12,13).
What are the key properties of 4-ethoxy-2,3-dimethylbenzenesulfonamide?
4-ethoxy-2,3-dimethylbenzenesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 43164397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).