3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide

C18H14F2N2O3S — CID 39660078

IUPAC3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1Oc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C18H14F2N2O3S/c19-14-5-1-7-16(10-14)25-18-13(4-3-9-21-18)12-22-26(23,24)17-8-2-6-15(20)11-17/h1-11,22H,12H2
InChIKeyGQHRIYIOJNVMCZ-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.63
Rot. Bonds6

About 3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide

3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 39660078) has the molecular formula C18H14F2N2O3S and a molecular weight of 376.38 g/mol. Its IUPAC name is 3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide
PubChem CID39660078
Molecular FormulaC18H14F2N2O3S
Molecular Weight376.38 g/mol
Exact Mass376.07
IUPAC Name3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1Oc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C18H14F2N2O3S/c19-14-5-1-7-16(10-14)25-18-13(4-3-9-21-18)12-22-26(23,24)17-8-2-6-15(20)11-17/h1-11,22H,12H2
InChIKeyGQHRIYIOJNVMCZ-UHFFFAOYSA-N
XLogP3.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56561894
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide
CID 39660247
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide
CID 55691601
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 39660154
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide
CID 26407651
3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide
CID 55777426
6-tert-butylsulfonyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]pyridin-3-amine
CID 133373902
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylsulfonylbenzamide
CID 60553727
N-[2-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55837977
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119847855
N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3851131
N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide
CID 42595685

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide (CID 39660078) is 3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide is O=S(=O)(NCc1cccnc1Oc1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is GQHRIYIOJNVMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3S/c19-14-5-1-7-16(10-14)25-18-13(4-3-9-21-18)12-22-26(23,24)17-8-2-6-15(20)11-17/h1-11,22H,12H2.
What are the key properties of 3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide?
3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 376.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 39660078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).