3-amino-N-ethyl-2-hydroxybenzenesulfonamide

C8H12N2O3S — CID 101304003

IUPAC3-amino-N-ethyl-2-hydroxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(N)c1O
InChIInChI=1S/C8H12N2O3S/c1-2-10-14(12,13)7-5-3-4-6(9)8(7)11/h3-5,10-11H,2,9H2,1H3
InChIKeyMQVSNPTWXQUWDA-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.27
Rot. Bonds3

About 3-amino-N-ethyl-2-hydroxybenzenesulfonamide

3-amino-N-ethyl-2-hydroxybenzenesulfonamide (PubChem CID 101304003) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-amino-N-ethyl-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-2-hydroxybenzenesulfonamide
PubChem CID101304003
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name3-amino-N-ethyl-2-hydroxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(N)c1O
InChIInChI=1S/C8H12N2O3S/c1-2-10-14(12,13)7-5-3-4-6(9)8(7)11/h3-5,10-11H,2,9H2,1H3
InChIKeyMQVSNPTWXQUWDA-UHFFFAOYSA-N
XLogP0.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylsulfamoyl)benzoic acid
CID 18725198
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
N-ethyl-2-iodobenzenesulfonamide
CID 626580
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
3-bromo-2-chloro-N-ethylbenzenesulfonamide
CID 164657063
ethyl 2-(ethylsulfamoyl)benzoate
CID 18338374
4-amino-N-ethyl-3-hydroxybenzenesulfonamide
CID 82901390
3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide
CID 43553098
3-(ethylsulfamoyl)pyridine-2-carbothioamide
CID 106596293
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
N-ethyl-9,10-dioxoanthracene-1-sulfonamide
CID 3256725
2-[2-(ethylsulfamoyl)anilino]propanoic acid
CID 43468803

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-2-hydroxybenzenesulfonamide?
The IUPAC name of 3-amino-N-ethyl-2-hydroxybenzenesulfonamide (CID 101304003) is 3-amino-N-ethyl-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-ethyl-2-hydroxybenzenesulfonamide is CCNS(=O)(=O)c1cccc(N)c1O.
What is the InChIKey of 3-amino-N-ethyl-2-hydroxybenzenesulfonamide?
The InChIKey is MQVSNPTWXQUWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-2-10-14(12,13)7-5-3-4-6(9)8(7)11/h3-5,10-11H,2,9H2,1H3.
What are the key properties of 3-amino-N-ethyl-2-hydroxybenzenesulfonamide?
3-amino-N-ethyl-2-hydroxybenzenesulfonamide has a molecular weight of 216.26 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 101304003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).