3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide

C19H14ClFN4O2S — CID 122285892

IUPAC3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
SMILESCc1c(-c2cccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)c2)nc2ncccn12
InChIInChI=1S/C19H14ClFN4O2S/c1-12-18(23-19-22-8-3-9-25(12)19)13-4-2-5-14(10-13)24-28(26,27)15-6-7-17(21)16(20)11-15/h2-11,24H,1H3
InChIKeyCPSCXRIVIAKBKU-UHFFFAOYSA-N
MW416.87 g/mol
LogP4.30
Rot. Bonds4

About 3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide

3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide (PubChem CID 122285892) has the molecular formula C19H14ClFN4O2S and a molecular weight of 416.87 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
PubChem CID122285892
Molecular FormulaC19H14ClFN4O2S
Molecular Weight416.87 g/mol
Exact Mass416.05
IUPAC Name3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
SMILESCc1c(-c2cccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)c2)nc2ncccn12
InChIInChI=1S/C19H14ClFN4O2S/c1-12-18(23-19-22-8-3-9-25(12)19)13-4-2-5-14(10-13)24-28(26,27)15-6-7-17(21)16(20)11-15/h2-11,24H,1H3
InChIKeyCPSCXRIVIAKBKU-UHFFFAOYSA-N
XLogP4.30
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
CID 121024250
3-chloro-4-fluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285186
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoline-8-sulfonamide
CID 122285761
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
4-methoxy-2,5-dimethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
CID 121024231
2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
CID 34879780
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
1-(3-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 121033214
1-(2-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 121033218
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide (CID 122285892) is 3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide is Cc1c(-c2cccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)c2)nc2ncccn12.
What is the InChIKey of 3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is CPSCXRIVIAKBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O2S/c1-12-18(23-19-22-8-3-9-25(12)19)13-4-2-5-14(10-13)24-28(26,27)15-6-7-17(21)16(20)11-15/h2-11,24H,1H3.
What are the key properties of 3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 416.87 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 122285892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).