3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide

C26H21FN2O4S — CID 55777426

IUPAC3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide
SMILESO=C(NCc1cccnc1Oc1cccc(F)c1)c1cccc(CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C26H21FN2O4S/c27-22-10-5-11-23(16-22)33-26-21(9-6-14-28-26)17-29-25(30)20-8-4-7-19(15-20)18-34(31,32)24-12-2-1-3-13-24/h1-16H,17-18H2,(H,29,30)
InChIKeyBPXDDAYXNZZUBT-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.92
Rot. Bonds8

About 3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide

3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide (PubChem CID 55777426) has the molecular formula C26H21FN2O4S and a molecular weight of 476.53 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide
PubChem CID55777426
Molecular FormulaC26H21FN2O4S
Molecular Weight476.53 g/mol
Exact Mass476.12
IUPAC Name3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide
SMILESO=C(NCc1cccnc1Oc1cccc(F)c1)c1cccc(CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C26H21FN2O4S/c27-22-10-5-11-23(16-22)33-26-21(9-6-14-28-26)17-29-25(30)20-8-4-7-19(15-20)18-34(31,32)24-12-2-1-3-13-24/h1-16H,17-18H2,(H,29,30)
InChIKeyBPXDDAYXNZZUBT-UHFFFAOYSA-N
XLogP4.92
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55837977
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylsulfonylbenzamide
CID 60553727
4-chloro-3-(dimethylsulfamoyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide
CID 55706412
3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 55774654
3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide
CID 39660078
1-benzyl-5-chloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxamide
CID 55692792
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 55862938
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide
CID 39660247
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylquinoline-3-carboxamide
CID 86986167
3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-5-nitrobenzamide
CID 55777394
N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide
CID 55844593
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide
CID 60553697

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide (CID 55777426) is 3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide is O=C(NCc1cccnc1Oc1cccc(F)c1)c1cccc(CS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide?
The InChIKey is BPXDDAYXNZZUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O4S/c27-22-10-5-11-23(16-22)33-26-21(9-6-14-28-26)17-29-25(30)20-8-4-7-19(15-20)18-34(31,32)24-12-2-1-3-13-24/h1-16H,17-18H2,(H,29,30).
What are the key properties of 3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide?
3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide has a molecular weight of 476.53 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 55777426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).