5-amino-2-ethylbenzenesulfonamide

C8H12N2O2S — CID 43255786

IUPAC5-amino-2-ethylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C8H12N2O2S/c1-2-6-3-4-7(9)5-8(6)13(10,11)12/h3-5H,2,9H2,1H3,(H2,10,11,12)
InChIKeyOJUOFLJPVCJTOC-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.48
Rot. Bonds2

About 5-amino-2-ethylbenzenesulfonamide

5-amino-2-ethylbenzenesulfonamide (PubChem CID 43255786) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 5-amino-2-ethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethylbenzenesulfonamide
PubChem CID43255786
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name5-amino-2-ethylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C8H12N2O2S/c1-2-6-3-4-7(9)5-8(6)13(10,11)12/h3-5H,2,9H2,1H3,(H2,10,11,12)
InChIKeyOJUOFLJPVCJTOC-UHFFFAOYSA-N
XLogP0.48
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethylbenzenesulfonamide?
The IUPAC name of 5-amino-2-ethylbenzenesulfonamide (CID 43255786) is 5-amino-2-ethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-ethylbenzenesulfonamide is CCc1ccc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-ethylbenzenesulfonamide?
The InChIKey is OJUOFLJPVCJTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-6-3-4-7(9)5-8(6)13(10,11)12/h3-5H,2,9H2,1H3,(H2,10,11,12).
What are the key properties of 5-amino-2-ethylbenzenesulfonamide?
5-amino-2-ethylbenzenesulfonamide has a molecular weight of 200.26 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethylbenzenesulfonamide is sourced from PubChem (CID 43255786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).