4-amino-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide

C11H14N4O2S — CID 4130652

IUPAC4-amino-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C11H14N4O2S/c12-9-1-3-11(4-2-9)18(16,17)15-6-5-10-7-13-8-14-10/h1-4,7-8,15H,5-6,12H2,(H,13,14)
InChIKeySOZPOCVABNILBZ-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.51
Rot. Bonds5

About 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide

4-amino-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 4130652) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
PubChem CID4130652
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-amino-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C11H14N4O2S/c12-9-1-3-11(4-2-9)18(16,17)15-6-5-10-7-13-8-14-10/h1-4,7-8,15H,5-6,12H2,(H,13,14)
InChIKeySOZPOCVABNILBZ-UHFFFAOYSA-N
XLogP0.51
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide (CID 4130652) is 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCc2cnc[nH]2)cc1.
What is the InChIKey of 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is SOZPOCVABNILBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c12-9-1-3-11(4-2-9)18(16,17)15-6-5-10-7-13-8-14-10/h1-4,7-8,15H,5-6,12H2,(H,13,14).
What are the key properties of 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 266.33 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 4130652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).