4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide

C12H16N4O3S — CID 61325918

IUPAC4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCCn1ccnc1
InChIInChI=1S/C12H16N4O3S/c1-19-11-8-10(13)2-3-12(11)20(17,18)15-5-7-16-6-4-14-9-16/h2-4,6,8-9,15H,5,7,13H2,1H3
InChIKeyQWNOWSDRDSIIFN-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.45
Rot. Bonds6

About 4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide

4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide (PubChem CID 61325918) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide
PubChem CID61325918
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCCn1ccnc1
InChIInChI=1S/C12H16N4O3S/c1-19-11-8-10(13)2-3-12(11)20(17,18)15-5-7-16-6-4-14-9-16/h2-4,6,8-9,15H,5,7,13H2,1H3
InChIKeyQWNOWSDRDSIIFN-UHFFFAOYSA-N
XLogP0.45
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61326120
3-amino-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide
CID 61325505
2-fluoro-N-(2-imidazol-1-ylethyl)-4,5-dimethoxybenzenesulfonamide
CID 35309403
4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61324479
4-fluoro-N-(2-imidazol-1-ylethyl)-3-methoxybenzenesulfonamide
CID 86818502
3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide
CID 37498541
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758400
5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459711
4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
CID 3046698
5-amino-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 28993569
5-(aminomethyl)-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018079

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide (CID 61325918) is 4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)NCCn1ccnc1.
What is the InChIKey of 4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide?
The InChIKey is QWNOWSDRDSIIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-19-11-8-10(13)2-3-12(11)20(17,18)15-5-7-16-6-4-14-9-16/h2-4,6,8-9,15H,5,7,13H2,1H3.
What are the key properties of 4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide?
4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 61325918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).