1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide

C19H17FN2O3S — CID 90596395

IUPAC1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C19H17FN2O3S/c20-17-9-7-15(8-10-17)14-26(23,24)22-13-16-4-3-5-18(12-16)25-19-6-1-2-11-21-19/h1-12,22H,13-14H2
InChIKeyQTICOXMBVNLLCI-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.63
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide (PubChem CID 90596395) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide
PubChem CID90596395
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C19H17FN2O3S/c20-17-9-7-15(8-10-17)14-26(23,24)22-13-16-4-3-5-18(12-16)25-19-6-1-2-11-21-19/h1-12,22H,13-14H2
InChIKeyQTICOXMBVNLLCI-UHFFFAOYSA-N
XLogP3.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide
CID 90596461
N-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide
CID 90596373
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90596443
4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596408
4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596467
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
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide
CID 35388728
N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 90596022
2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide
CID 90596276

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide (CID 90596395) is 1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCc1cccc(Oc2ccccn2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide?
The InChIKey is QTICOXMBVNLLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c20-17-9-7-15(8-10-17)14-26(23,24)22-13-16-4-3-5-18(12-16)25-19-6-1-2-11-21-19/h1-12,22H,13-14H2.
What are the key properties of 1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide has a molecular weight of 372.42 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 90596395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).