3-ethylbenzenesulfonamide

C8H11NO2S — CID 14763059

IUPAC3-ethylbenzenesulfonamide
SMILESCCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C8H11NO2S/c1-2-7-4-3-5-8(6-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
InChIKeyIDAXFFOLDRMEAO-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.90
Rot. Bonds2

About 3-ethylbenzenesulfonamide

3-ethylbenzenesulfonamide (PubChem CID 14763059) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-ethylbenzenesulfonamide
PubChem CID14763059
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name3-ethylbenzenesulfonamide
SMILESCCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C8H11NO2S/c1-2-7-4-3-5-8(6-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
InChIKeyIDAXFFOLDRMEAO-UHFFFAOYSA-N
XLogP0.90
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylbenzenesulfonamide?
The IUPAC name of 3-ethylbenzenesulfonamide (CID 14763059) is 3-ethylbenzenesulfonamide.
What is the SMILES notation for 3-ethylbenzenesulfonamide?
The canonical SMILES for 3-ethylbenzenesulfonamide is CCc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-ethylbenzenesulfonamide?
The InChIKey is IDAXFFOLDRMEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-2-7-4-3-5-8(6-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11).
What are the key properties of 3-ethylbenzenesulfonamide?
3-ethylbenzenesulfonamide has a molecular weight of 185.25 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylbenzenesulfonamide is sourced from PubChem (CID 14763059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).