N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoline-8-sulfonamide

C22H17N5O2S — CID 122285761

IUPACN-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoline-8-sulfonamide
SMILESCc1c(-c2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)nc2ncccn12
InChIInChI=1S/C22H17N5O2S/c1-15-20(25-22-24-12-5-13-27(15)22)17-7-2-9-18(14-17)26-30(28,29)19-10-3-6-16-8-4-11-23-21(16)19/h2-14,26H,1H3
InChIKeyKGWHLQMFMXRQLK-UHFFFAOYSA-N
MW415.48 g/mol
LogP4.05
Rot. Bonds4

About N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoline-8-sulfonamide

N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoline-8-sulfonamide (PubChem CID 122285761) has the molecular formula C22H17N5O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoline-8-sulfonamide
PubChem CID122285761
Molecular FormulaC22H17N5O2S
Molecular Weight415.48 g/mol
Exact Mass415.11
IUPAC NameN-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoline-8-sulfonamide
SMILESCc1c(-c2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)nc2ncccn12
InChIInChI=1S/C22H17N5O2S/c1-15-20(25-22-24-12-5-13-27(15)22)17-7-2-9-18(14-17)26-30(28,29)19-10-3-6-16-8-4-11-23-21(16)19/h2-14,26H,1H3
InChIKeyKGWHLQMFMXRQLK-UHFFFAOYSA-N
XLogP4.05
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
CID 121024250
4-methoxy-2,5-dimethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
CID 121024231
N-[3-methyl-4-[[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 122285926
5-bromo-2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
CID 121024258
3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
CID 122285892
1-(2-fluorophenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]methanesulfonamide
CID 122285924
1-(3-chlorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 7080345
1-(3-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 121033214
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)quinoline-8-sulfonamide
CID 122283305
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclohexanecarboxamide
CID 7080306
1-(2-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 121033218
N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide
CID 5095146

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoline-8-sulfonamide (CID 122285761) is N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoline-8-sulfonamide is Cc1c(-c2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)nc2ncccn12.
What is the InChIKey of N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoline-8-sulfonamide?
The InChIKey is KGWHLQMFMXRQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2S/c1-15-20(25-22-24-12-5-13-27(15)22)17-7-2-9-18(14-17)26-30(28,29)19-10-3-6-16-8-4-11-23-21(16)19/h2-14,26H,1H3.
What are the key properties of N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoline-8-sulfonamide?
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoline-8-sulfonamide has a molecular weight of 415.48 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 122285761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).