2-amino-5-ethylbenzenesulfonic acid

C8H11NO3S — CID 14819008

IUPAC2-amino-5-ethylbenzenesulfonic acid
SMILESCCc1ccc(N)c(S(=O)(=O)O)c1
InChIInChI=1S/C8H11NO3S/c1-2-6-3-4-7(9)8(5-6)13(10,11)12/h3-5H,2,9H2,1H3,(H,10,11,12)
InChIKeyCAFUHBWYTBNBEY-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.08
Rot. Bonds2

About 2-amino-5-ethylbenzenesulfonic acid

2-amino-5-ethylbenzenesulfonic acid (PubChem CID 14819008) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-amino-5-ethylbenzenesulfonic acid.

Molecular Properties

Compound Name2-amino-5-ethylbenzenesulfonic acid
PubChem CID14819008
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name2-amino-5-ethylbenzenesulfonic acid
SMILESCCc1ccc(N)c(S(=O)(=O)O)c1
InChIInChI=1S/C8H11NO3S/c1-2-6-3-4-7(9)8(5-6)13(10,11)12/h3-5H,2,9H2,1H3,(H,10,11,12)
InChIKeyCAFUHBWYTBNBEY-UHFFFAOYSA-N
XLogP1.08
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-2-methylbenzenesulfonic acid
CID 87265774
1-(4-amino-3-methylsulfonylphenyl)-2-methylpropan-2-ol
CID 116998659
2-amino-5-[4-amino-3-(trihydroxy-λ4-sulfanyl)phenyl]benzenesulfonic acid
CID 59059894
2-amino-5-iodobenzenesulfonic acid
CID 11087848
2-amino-4-(ethylaminomethyl)benzenesulfonic acid
CID 71408718
2-amino-4-(aminomethyl)benzenesulfonic acid
CID 18798206
2-amino-5-(hydroxyamino)benzenesulfonic acid
CID 89039336
2-amino-5-(3-sulfophenyl)benzenesulfonic acid
CID 152510687
4-ethyl-2-sulfamoylbenzoic acid
CID 174396253
2-amino-5-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid
CID 19021966
2-aminobenzene-1,4-disulfonic acid;4-aminobenzene-1,3-disulfonic acid
CID 88725351
4-[(4-ethyl-2-methylphenyl)diazenyl]benzene-1,3-disulfonic acid
CID 20741785

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethylbenzenesulfonic acid?
The IUPAC name of 2-amino-5-ethylbenzenesulfonic acid (CID 14819008) is 2-amino-5-ethylbenzenesulfonic acid.
What is the SMILES notation for 2-amino-5-ethylbenzenesulfonic acid?
The canonical SMILES for 2-amino-5-ethylbenzenesulfonic acid is CCc1ccc(N)c(S(=O)(=O)O)c1.
What is the InChIKey of 2-amino-5-ethylbenzenesulfonic acid?
The InChIKey is CAFUHBWYTBNBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-2-6-3-4-7(9)8(5-6)13(10,11)12/h3-5H,2,9H2,1H3,(H,10,11,12).
What are the key properties of 2-amino-5-ethylbenzenesulfonic acid?
2-amino-5-ethylbenzenesulfonic acid has a molecular weight of 201.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethylbenzenesulfonic acid is sourced from PubChem (CID 14819008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).