1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide

C19H16F2N2O3S — CID 90596461

IUPAC1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)cc(F)c1)NCc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C19H16F2N2O3S/c20-16-8-15(9-17(21)11-16)13-27(24,25)23-12-14-4-3-5-18(10-14)26-19-6-1-2-7-22-19/h1-11,23H,12-13H2
InChIKeyQJJXEGNPQFJQSI-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.77
Rot. Bonds7

About 1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide

1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide (PubChem CID 90596461) has the molecular formula C19H16F2N2O3S and a molecular weight of 390.41 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide
PubChem CID90596461
Molecular FormulaC19H16F2N2O3S
Molecular Weight390.41 g/mol
Exact Mass390.08
IUPAC Name1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)cc(F)c1)NCc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C19H16F2N2O3S/c20-16-8-15(9-17(21)11-16)13-27(24,25)23-12-14-4-3-5-18(10-14)26-19-6-1-2-7-22-19/h1-11,23H,12-13H2
InChIKeyQJJXEGNPQFJQSI-UHFFFAOYSA-N
XLogP3.77
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide
CID 90596395
N-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide
CID 90596373
N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90596443
4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596408
2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propan-2-amine
CID 71120054
5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596416
4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596467
N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 90596022
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052
(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide
CID 90596212

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide (CID 90596461) is 1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide is O=S(=O)(Cc1cc(F)cc(F)c1)NCc1cccc(Oc2ccccn2)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide?
The InChIKey is QJJXEGNPQFJQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3S/c20-16-8-15(9-17(21)11-16)13-27(24,25)23-12-14-4-3-5-18(10-14)26-19-6-1-2-7-22-19/h1-11,23H,12-13H2.
What are the key properties of 1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide?
1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide has a molecular weight of 390.41 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 90596461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).