1-(2,5-difluorophenyl)-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide

C17H16F2N4O2S — CID 86266172

IUPAC1-(2,5-difluorophenyl)-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)NCCn1ccnc1-c1ccccn1
InChIInChI=1S/C17H16F2N4O2S/c18-14-4-5-15(19)13(11-14)12-26(24,25)22-8-10-23-9-7-21-17(23)16-3-1-2-6-20-16/h1-7,9,11,22H,8,10,12H2
InChIKeyPVOIBAPFGVINPL-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.34
Rot. Bonds7

About 1-(2,5-difluorophenyl)-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide

1-(2,5-difluorophenyl)-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide (PubChem CID 86266172) has the molecular formula C17H16F2N4O2S and a molecular weight of 378.40 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide
PubChem CID86266172
Molecular FormulaC17H16F2N4O2S
Molecular Weight378.40 g/mol
Exact Mass378.10
IUPAC Name1-(2,5-difluorophenyl)-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)NCCn1ccnc1-c1ccccn1
InChIInChI=1S/C17H16F2N4O2S/c18-14-4-5-15(19)13(11-14)12-26(24,25)22-8-10-23-9-7-21-17(23)16-3-1-2-6-20-16/h1-7,9,11,22H,8,10,12H2
InChIKeyPVOIBAPFGVINPL-UHFFFAOYSA-N
XLogP2.34
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 60152613
VK-19911
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N-Methyl-3-(1-methyl-1H-imidazol-4-yl)-4-((4-(trifluoromethyl)phenyl)amino)benzenesulfonamide
CID 137534047
Cbs-3595
CID 11639342
2-(3-Fluorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}ethanamine
CID 118656528
3-(3-Fluorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}propan-1-Amine
CID 118656529
N-[2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethyl]methanesulfonamide
CID 44431997
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
CID 1482877
3-(3-Fluorophenyl)-N-{[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]methyl}propan-1-Amine
CID 118654390
US9656955, Example 351
CID 86295652
2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide
CID 16195005
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide
CID 950484

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide (CID 86266172) is 1-(2,5-difluorophenyl)-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide is O=S(=O)(Cc1cc(F)ccc1F)NCCn1ccnc1-c1ccccn1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide?
The InChIKey is PVOIBAPFGVINPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2S/c18-14-4-5-15(19)13(11-14)12-26(24,25)22-8-10-23-9-7-21-17(23)16-3-1-2-6-20-16/h1-7,9,11,22H,8,10,12H2.
What are the key properties of 1-(2,5-difluorophenyl)-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide?
1-(2,5-difluorophenyl)-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide has a molecular weight of 378.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 86266172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).