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

C24H20N6O2S — CID 91221359

IUPAC4-[1H-imidazol-2-yl-[5-(6-methyl-2-pyridinyl)quinoxalin-6-yl]methyl]benzenesulfonamide
SMILESCc1cccc(-c2c(C(c3ccc(S(N)(=O)=O)cc3)c3ncc[nH]3)ccc3nccnc23)n1
InChIInChI=1S/C24H20N6O2S/c1-15-3-2-4-19(30-15)22-18(9-10-20-23(22)27-12-11-26-20)21(24-28-13-14-29-24)16-5-7-17(8-6-16)33(25,31)32/h2-14,21H,1H3,(H,28,29)(H2,25,31,32)
InChIKeyDGLISSNTLVOHRQ-UHFFFAOYSA-N
MW456.53 g/mol
LogP3.55
Rot. Bonds5

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

4-[1H-imidazol-2-yl-[5-(6-methyl-2-pyridinyl)quinoxalin-6-yl]methyl]benzenesulfonamide (PubChem CID 91221359) has the molecular formula C24H20N6O2S and a molecular weight of 456.53 g/mol. Its IUPAC name is 4-[1H-imidazol-2-yl-[5-(6-methyl-2-pyridinyl)quinoxalin-6-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1H-imidazol-2-yl-[5-(6-methyl-2-pyridinyl)quinoxalin-6-yl]methyl]benzenesulfonamide
PubChem CID91221359
Molecular FormulaC24H20N6O2S
Molecular Weight456.53 g/mol
Exact Mass456.14
IUPAC Name4-[1H-imidazol-2-yl-[5-(6-methyl-2-pyridinyl)quinoxalin-6-yl]methyl]benzenesulfonamide
SMILESCc1cccc(-c2c(C(c3ccc(S(N)(=O)=O)cc3)c3ncc[nH]3)ccc3nccnc23)n1
InChIInChI=1S/C24H20N6O2S/c1-15-3-2-4-19(30-15)22-18(9-10-20-23(22)27-12-11-26-20)21(24-28-13-14-29-24)16-5-7-17(8-6-16)33(25,31)32/h2-14,21H,1H3,(H,28,29)(H2,25,31,32)
InChIKeyDGLISSNTLVOHRQ-UHFFFAOYSA-N
XLogP3.55
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl)pyridine-3-sulfonamide
CID 51030730
SB-525334
CID 9967941
IN-1166
CID 16654987
2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide
CID 122690681
N-(cyclohexylmethyl)-N-(1H-imidazol-4-ylmethyl)-4-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzenesulfonamide
CID 483315
N-methyl-N-[[7-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11545596
8-(3-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline
CID 9980809
4-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1H-imidazol-2-yl)methylamino)benzonitrile
CID 16731415
3-((5-(6-ethylpyridin-2-yl)-4-(quinoxalin-6-yl)-1H-imidazol-2-yl)methylamino)benzonitrile
CID 16731558
4-((5-(6-ethylpyridin-2-yl)-4-(quinoxalin-6-yl)-1H-imidazol-2-yl)methylamino)benzonitrile
CID 16731882
6-(5-phenyl-2-pyridin-4-yl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 17981676
4-(7-(1H-indol-4-yl)-5-methylbenzo[e][1,2,4]triazin-3-ylamino)-N-(2-(pyrrolidin-1-yl)ethyl)benzenesulfonamide
CID 44444060

Frequently Asked Questions

What is the IUPAC name of 4-[1H-imidazol-2-yl-[5-(6-methyl-2-pyridinyl)quinoxalin-6-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-[1H-imidazol-2-yl-[5-(6-methyl-2-pyridinyl)quinoxalin-6-yl]methyl]benzenesulfonamide (CID 91221359) is 4-[1H-imidazol-2-yl-[5-(6-methyl-2-pyridinyl)quinoxalin-6-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[1H-imidazol-2-yl-[5-(6-methyl-2-pyridinyl)quinoxalin-6-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-[1H-imidazol-2-yl-[5-(6-methyl-2-pyridinyl)quinoxalin-6-yl]methyl]benzenesulfonamide is Cc1cccc(-c2c(C(c3ccc(S(N)(=O)=O)cc3)c3ncc[nH]3)ccc3nccnc23)n1.
What is the InChIKey of 4-[1H-imidazol-2-yl-[5-(6-methyl-2-pyridinyl)quinoxalin-6-yl]methyl]benzenesulfonamide?
The InChIKey is DGLISSNTLVOHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2S/c1-15-3-2-4-19(30-15)22-18(9-10-20-23(22)27-12-11-26-20)21(24-28-13-14-29-24)16-5-7-17(8-6-16)33(25,31)32/h2-14,21H,1H3,(H,28,29)(H2,25,31,32).
What are the key properties of 4-[1H-imidazol-2-yl-[5-(6-methyl-2-pyridinyl)quinoxalin-6-yl]methyl]benzenesulfonamide?
4-[1H-imidazol-2-yl-[5-(6-methyl-2-pyridinyl)quinoxalin-6-yl]methyl]benzenesulfonamide has a molecular weight of 456.53 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1H-imidazol-2-yl-[5-(6-methyl-2-pyridinyl)quinoxalin-6-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 91221359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).