3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide

C11H14N4O3S — CID 61324481

IUPAC3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCn2ccnc2)ccc1O
InChIInChI=1S/C11H14N4O3S/c12-10-7-9(1-2-11(10)16)19(17,18)14-4-6-15-5-3-13-8-15/h1-3,5,7-8,14,16H,4,6,12H2
InChIKeyOTMFJOQTESXMOV-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.15
Rot. Bonds5

About 3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide

3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide (PubChem CID 61324481) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide
PubChem CID61324481
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCn2ccnc2)ccc1O
InChIInChI=1S/C11H14N4O3S/c12-10-7-9(1-2-11(10)16)19(17,18)14-4-6-15-5-3-13-8-15/h1-3,5,7-8,14,16H,4,6,12H2
InChIKeyOTMFJOQTESXMOV-UHFFFAOYSA-N
XLogP0.15
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide
CID 61325505
4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61324479
3-amino-4-hydroxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459596
3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345879
3-(aminomethyl)-4-chloro-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018159
3-(aminomethyl)-4-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018089
4-fluoro-N-(2-imidazol-1-ylethyl)-3-methoxybenzenesulfonamide
CID 86818502
3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60895708
3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide
CID 37498541
4-fluoro-N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106018108
4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 43455140
N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide (CID 61324481) is 3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NCCn2ccnc2)ccc1O.
What is the InChIKey of 3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide?
The InChIKey is OTMFJOQTESXMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c12-10-7-9(1-2-11(10)16)19(17,18)14-4-6-15-5-3-13-8-15/h1-3,5,7-8,14,16H,4,6,12H2.
What are the key properties of 3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide?
3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide has a molecular weight of 282.32 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 61324481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).