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

C11H14N4O2S — CID 61324479

IUPAC4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCn2ccnc2)cc1
InChIInChI=1S/C11H14N4O2S/c12-10-1-3-11(4-2-10)18(16,17)14-6-8-15-7-5-13-9-15/h1-5,7,9,14H,6,8,12H2
InChIKeyXHNZDKFYSNJTNT-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.44
Rot. Bonds5

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

4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide (PubChem CID 61324479) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide
PubChem CID61324479
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCn2ccnc2)cc1
InChIInChI=1S/C11H14N4O2S/c12-10-1-3-11(4-2-10)18(16,17)14-6-8-15-7-5-13-9-15/h1-5,7,9,14H,6,8,12H2
InChIKeyXHNZDKFYSNJTNT-UHFFFAOYSA-N
XLogP0.44
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61324481
4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 43455140
3-amino-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide
CID 61325505
5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61326120
3-(aminomethyl)-4-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018089
3-(aminomethyl)-4-chloro-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018159
4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide
CID 61325918
N-(3-imidazol-1-ylpropyl)-4-methylsulfanylbenzenesulfonamide
CID 6459195
4-fluoro-N-(2-imidazol-1-ylethyl)-3-methoxybenzenesulfonamide
CID 86818502
3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide
CID 37498541
6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 28828807
4-fluoro-N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106018108

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide (CID 61324479) is 4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCn2ccnc2)cc1.
What is the InChIKey of 4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide?
The InChIKey is XHNZDKFYSNJTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c12-10-1-3-11(4-2-10)18(16,17)14-6-8-15-7-5-13-9-15/h1-5,7,9,14H,6,8,12H2.
What are the key properties of 4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide?
4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide has a molecular weight of 266.33 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 61324479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).