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

C27H26N6O2S — CID 25270969

IUPAC4-[2-[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide
SMILESCCCc1cccc(-c2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C27H26N6O2S/c1-2-4-20-5-3-6-23(31-20)27-26(19-10-13-22-24(17-19)30-16-15-29-22)32-25(33-27)14-9-18-7-11-21(12-8-18)36(28,34)35/h3,5-8,10-13,15-17H,2,4,9,14H2,1H3,(H,32,33)(H2,28,34,35)
InChIKeyNTULPRZNRSWBQY-UHFFFAOYSA-N
MW498.61 g/mol
LogP4.47
Rot. Bonds8

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

4-[2-[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide (PubChem CID 25270969) has the molecular formula C27H26N6O2S and a molecular weight of 498.61 g/mol. Its IUPAC name is 4-[2-[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide
PubChem CID25270969
Molecular FormulaC27H26N6O2S
Molecular Weight498.61 g/mol
Exact Mass498.18
IUPAC Name4-[2-[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide
SMILESCCCc1cccc(-c2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C27H26N6O2S/c1-2-4-20-5-3-6-23(31-20)27-26(19-10-13-22-24(17-19)30-16-15-29-22)32-25(33-27)14-9-18-7-11-21(12-8-18)36(28,34)35/h3,5-8,10-13,15-17H,2,4,9,14H2,1H3,(H,32,33)(H2,28,34,35)
InChIKeyNTULPRZNRSWBQY-UHFFFAOYSA-N
XLogP4.47
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 54.47
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-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide (CID 25270969) is 4-[2-[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide is CCCc1cccc(-c2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 4-[2-[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide?
The InChIKey is NTULPRZNRSWBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2S/c1-2-4-20-5-3-6-23(31-20)27-26(19-10-13-22-24(17-19)30-16-15-29-22)32-25(33-27)14-9-18-7-11-21(12-8-18)36(28,34)35/h3,5-8,10-13,15-17H,2,4,9,14H2,1H3,(H,32,33)(H2,28,34,35).
What are the key properties of 4-[2-[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide?
4-[2-[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide has a molecular weight of 498.61 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 25270969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).