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

C11H12ClN3O2S — CID 4204841

IUPAC4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cnc[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O2S/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,5-6H2,(H,13,14)
InChIKeyXQTBHDJGZPXLJF-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.58
Rot. Bonds5

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

4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 4204841) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
PubChem CID4204841
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cnc[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O2S/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,5-6H2,(H,13,14)
InChIKeyXQTBHDJGZPXLJF-UHFFFAOYSA-N
XLogP1.58
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide (CID 4204841) is 4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1cnc[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is XQTBHDJGZPXLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/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,5-6H2,(H,13,14).
What are the key properties of 4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 285.76 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 4204841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).