4-[2-[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide

C26H24N6O2S — CID 25270968

IUPAC4-[2-[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide
SMILESCCc1cccc(-c2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C26H24N6O2S/c1-2-19-4-3-5-22(30-19)26-25(18-9-12-21-23(16-18)29-15-14-28-21)31-24(32-26)13-8-17-6-10-20(11-7-17)35(27,33)34/h3-7,9-12,14-16H,2,8,13H2,1H3,(H,31,32)(H2,27,33,34)
InChIKeyAFRQELXQVAXYIA-UHFFFAOYSA-N
MW484.59 g/mol
LogP4.08
Rot. Bonds7

About 4-[2-[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide

4-[2-[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide (PubChem CID 25270968) has the molecular formula C26H24N6O2S and a molecular weight of 484.59 g/mol. Its IUPAC name is 4-[2-[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide
PubChem CID25270968
Molecular FormulaC26H24N6O2S
Molecular Weight484.59 g/mol
Exact Mass484.17
IUPAC Name4-[2-[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide
SMILESCCc1cccc(-c2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C26H24N6O2S/c1-2-19-4-3-5-22(30-19)26-25(18-9-12-21-23(16-18)29-15-14-28-21)31-24(32-26)13-8-17-6-10-20(11-7-17)35(27,33)34/h3-7,9-12,14-16H,2,8,13H2,1H3,(H,31,32)(H2,27,33,34)
InChIKeyAFRQELXQVAXYIA-UHFFFAOYSA-N
XLogP4.08
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide (CID 25270968) is 4-[2-[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide is CCc1cccc(-c2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 4-[2-[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide?
The InChIKey is AFRQELXQVAXYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2S/c1-2-19-4-3-5-22(30-19)26-25(18-9-12-21-23(16-18)29-15-14-28-21)31-24(32-26)13-8-17-6-10-20(11-7-17)35(27,33)34/h3-7,9-12,14-16H,2,8,13H2,1H3,(H,31,32)(H2,27,33,34).
What are the key properties of 4-[2-[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide?
4-[2-[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide has a molecular weight of 484.59 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 25270968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).