3-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide

C20H18FN3O4S — CID 39248461

IUPAC3-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ncccc1CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C20H18FN3O4S/c1-28-20-15(7-5-11-22-20)13-23-19(25)14-6-4-8-16(12-14)29(26,27)24-18-10-3-2-9-17(18)21/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeySJIBMXLPVFGCGQ-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.96
Rot. Bonds7

About 3-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide

3-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide (PubChem CID 39248461) has the molecular formula C20H18FN3O4S and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
PubChem CID39248461
Molecular FormulaC20H18FN3O4S
Molecular Weight415.45 g/mol
Exact Mass415.10
IUPAC Name3-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ncccc1CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C20H18FN3O4S/c1-28-20-15(7-5-11-22-20)13-23-19(25)14-6-4-8-16(12-14)29(26,27)24-18-10-3-2-9-17(18)21/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeySJIBMXLPVFGCGQ-UHFFFAOYSA-N
XLogP2.96
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55901843
3-(diethylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533714
3-(azepan-1-ylsulfonyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533968
3-[ethyl(phenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 37486403
3-[(2-fluorophenyl)sulfamoyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 47080387
N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 34485319
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 46454558
4-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 9246337
3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 24686310
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
N-[2-(ethylamino)-2-oxoethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 18145874
N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 4790456

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide (CID 39248461) is 3-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide is COc1ncccc1CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The InChIKey is SJIBMXLPVFGCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4S/c1-28-20-15(7-5-11-22-20)13-23-19(25)14-6-4-8-16(12-14)29(26,27)24-18-10-3-2-9-17(18)21/h2-12,24H,13H2,1H3,(H,23,25).
What are the key properties of 3-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
3-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide has a molecular weight of 415.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 39248461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).