2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide

C26H22FN3O4S — CID 46477862

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C26H22FN3O4S/c27-20-11-13-23(14-12-20)35(32,33)30-25-10-2-1-9-24(25)26(31)29-17-19-6-5-8-22(16-19)34-18-21-7-3-4-15-28-21/h1-16,30H,17-18H2,(H,29,31)
InChIKeyLZJHYLHFVVSZHI-UHFFFAOYSA-N
MW491.54 g/mol
LogP4.53
Rot. Bonds9

About 2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide

2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide (PubChem CID 46477862) has the molecular formula C26H22FN3O4S and a molecular weight of 491.54 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
PubChem CID46477862
Molecular FormulaC26H22FN3O4S
Molecular Weight491.54 g/mol
Exact Mass491.13
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C26H22FN3O4S/c27-20-11-13-23(14-12-20)35(32,33)30-25-10-2-1-9-24(25)26(31)29-17-19-6-5-8-22(16-19)34-18-21-7-3-4-15-28-21/h1-16,30H,17-18H2,(H,29,31)
InChIKeyLZJHYLHFVVSZHI-UHFFFAOYSA-N
XLogP4.53
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2333220
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
CID 55709444
2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2973231
2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide
CID 46470248
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467325
2-methoxy-5-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709278
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46477911
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid
CID 55645126
3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38669447
(E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide
CID 98796519
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
CID 55940395

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide (CID 46477862) is 2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide is O=C(NCc1cccc(OCc2ccccn2)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The InChIKey is LZJHYLHFVVSZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O4S/c27-20-11-13-23(14-12-20)35(32,33)30-25-10-2-1-9-24(25)26(31)29-17-19-6-5-8-22(16-19)34-18-21-7-3-4-15-28-21/h1-16,30H,17-18H2,(H,29,31).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide has a molecular weight of 491.54 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 46477862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).