4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide

C20H18FN3O4S — CID 9414636

IUPAC4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccccn2)ccc1F
InChIInChI=1S/C20H18FN3O4S/c1-28-18-8-3-2-7-17(18)24-29(26,27)19-12-14(9-10-16(19)21)20(25)23-13-15-6-4-5-11-22-15/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeyYAFNIYJBLXVPOU-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.96
Rot. Bonds7

About 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide

4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 9414636) has the molecular formula C20H18FN3O4S and a molecular weight of 415.45 g/mol. Its IUPAC name is 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID9414636
Molecular FormulaC20H18FN3O4S
Molecular Weight415.45 g/mol
Exact Mass415.10
IUPAC Name4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccccn2)ccc1F
InChIInChI=1S/C20H18FN3O4S/c1-28-18-8-3-2-7-17(18)24-29(26,27)19-12-14(9-10-16(19)21)20(25)23-13-15-6-4-5-11-22-15/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeyYAFNIYJBLXVPOU-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

4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414541
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 43002443
N-cyclopentyl-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 9164199
4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964388
N-[(2-chlorophenyl)methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2612888
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064210
N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2632905
N-[(3,5-difluorophenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 37391318
5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43255479
4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
4-chloro-N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46422535
4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 62678700

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (CID 9414636) is 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccccn2)ccc1F.
What is the InChIKey of 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is YAFNIYJBLXVPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4S/c1-28-18-8-3-2-7-17(18)24-29(26,27)19-12-14(9-10-16(19)21)20(25)23-13-15-6-4-5-11-22-15/h2-12,24H,13H2,1H3,(H,23,25).
What are the key properties of 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)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 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 9414636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).