3-(dimethylsulfamoyl)-4-fluoro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide

C21H20FN3O4S — CID 55881988

IUPAC3-(dimethylsulfamoyl)-4-fluoro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cn3ccccc3=O)cc2)ccc1F
InChIInChI=1S/C21H20FN3O4S/c1-24(2)30(28,29)19-13-16(8-11-18(19)22)21(27)23-17-9-6-15(7-10-17)14-25-12-4-3-5-20(25)26/h3-13H,14H2,1-2H3,(H,23,27)
InChIKeyJMOHNHQGAPOCJF-UHFFFAOYSA-N
MW429.47 g/mol
LogP2.54
Rot. Bonds6

About 3-(dimethylsulfamoyl)-4-fluoro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide

3-(dimethylsulfamoyl)-4-fluoro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide (PubChem CID 55881988) has the molecular formula C21H20FN3O4S and a molecular weight of 429.47 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4-fluoro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4-fluoro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
PubChem CID55881988
Molecular FormulaC21H20FN3O4S
Molecular Weight429.47 g/mol
Exact Mass429.12
IUPAC Name3-(dimethylsulfamoyl)-4-fluoro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cn3ccccc3=O)cc2)ccc1F
InChIInChI=1S/C21H20FN3O4S/c1-24(2)30(28,29)19-13-16(8-11-18(19)22)21(27)23-17-9-6-15(7-10-17)14-25-12-4-3-5-20(25)26/h3-13H,14H2,1-2H3,(H,23,27)
InChIKeyJMOHNHQGAPOCJF-UHFFFAOYSA-N
XLogP2.54
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-(methylsulfamoyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 55855260
N-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 55792846
N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55767178
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 55792690
N-(2,4-dichlorophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 55792661
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 55858708
7-chloro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 55767444
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843818
5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 55881478
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 52651915
N-(3-chloro-4-fluorophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31328053
2-(cyclopropylamino)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyridine-4-carboxamide
CID 167805117

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4-fluoro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4-fluoro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide (CID 55881988) is 3-(dimethylsulfamoyl)-4-fluoro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4-fluoro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4-fluoro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide is CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cn3ccccc3=O)cc2)ccc1F.
What is the InChIKey of 3-(dimethylsulfamoyl)-4-fluoro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide?
The InChIKey is JMOHNHQGAPOCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4S/c1-24(2)30(28,29)19-13-16(8-11-18(19)22)21(27)23-17-9-6-15(7-10-17)14-25-12-4-3-5-20(25)26/h3-13H,14H2,1-2H3,(H,23,27).
What are the key properties of 3-(dimethylsulfamoyl)-4-fluoro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide?
3-(dimethylsulfamoyl)-4-fluoro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide has a molecular weight of 429.47 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4-fluoro-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide is sourced from PubChem (CID 55881988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).