N-[2-(1H-imidazol-5-yl)ethyl]-1-phenylmethanesulfonamide

C12H15N3O2S — CID 4598386

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCc1cnc[nH]1
InChIInChI=1S/C12H15N3O2S/c16-18(17,9-11-4-2-1-3-5-11)15-7-6-12-8-13-10-14-12/h1-5,8,10,15H,6-7,9H2,(H,13,14)
InChIKeyCXTVOCBOZDKVHS-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.07
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]-1-phenylmethanesulfonamide

N-[2-(1H-imidazol-5-yl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 4598386) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-1-phenylmethanesulfonamide
PubChem CID4598386
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCc1cnc[nH]1
InChIInChI=1S/C12H15N3O2S/c16-18(17,9-11-4-2-1-3-5-11)15-7-6-12-8-13-10-14-12/h1-5,8,10,15H,6-7,9H2,(H,13,14)
InChIKeyCXTVOCBOZDKVHS-UHFFFAOYSA-N
XLogP1.07
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-phenylmethanesulfonamide (CID 4598386) is N-[2-(1H-imidazol-5-yl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is CXTVOCBOZDKVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c16-18(17,9-11-4-2-1-3-5-11)15-7-6-12-8-13-10-14-12/h1-5,8,10,15H,6-7,9H2,(H,13,14).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-1-phenylmethanesulfonamide?
N-[2-(1H-imidazol-5-yl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 4598386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).