2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide

C19H14F2N4O2S — CID 121024250

IUPAC2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
SMILESCc1c(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2)nc2ncccn12
InChIInChI=1S/C19H14F2N4O2S/c1-12-18(23-19-22-8-3-9-25(12)19)13-4-2-5-15(10-13)24-28(26,27)17-11-14(20)6-7-16(17)21/h2-11,24H,1H3
InChIKeyGGNRCXWXARZADN-UHFFFAOYSA-N
MW400.41 g/mol
LogP3.78
Rot. Bonds4

About 2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide

2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide (PubChem CID 121024250) has the molecular formula C19H14F2N4O2S and a molecular weight of 400.41 g/mol. Its IUPAC name is 2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
PubChem CID121024250
Molecular FormulaC19H14F2N4O2S
Molecular Weight400.41 g/mol
Exact Mass400.08
IUPAC Name2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
SMILESCc1c(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2)nc2ncccn12
InChIInChI=1S/C19H14F2N4O2S/c1-12-18(23-19-22-8-3-9-25(12)19)13-4-2-5-15(10-13)24-28(26,27)17-11-14(20)6-7-16(17)21/h2-11,24H,1H3
InChIKeyGGNRCXWXARZADN-UHFFFAOYSA-N
XLogP3.78
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoline-8-sulfonamide
CID 122285761
3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
CID 122285892
N-[3-methyl-4-[[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 122285926
4-methoxy-2,5-dimethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
CID 121024231
1-(3-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 121033214
1-(2-fluorophenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]methanesulfonamide
CID 122285924
5-bromo-2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
CID 121024258
1-(3-chlorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 7080345
1-(2-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 121033218
2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
CID 34879780
3-(4-fluorophenyl)-1-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]pyrazole-5-carboxamide
CID 122285837
2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 9240048

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide (CID 121024250) is 2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide is Cc1c(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2)nc2ncccn12.
What is the InChIKey of 2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is GGNRCXWXARZADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2S/c1-12-18(23-19-22-8-3-9-25(12)19)13-4-2-5-15(10-13)24-28(26,27)17-11-14(20)6-7-16(17)21/h2-11,24H,1H3.
What are the key properties of 2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide?
2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 400.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 121024250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).