N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide

C21H21FN4O3S — CID 46454558

IUPACN-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESCN(C)c1ncccc1CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C21H21FN4O3S/c1-26(2)20-16(6-5-13-23-20)14-24-21(27)15-9-11-17(12-10-15)30(28,29)25-19-8-4-3-7-18(19)22/h3-13,25H,14H2,1-2H3,(H,24,27)
InChIKeyJRLLNHFLFBQBAL-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.02
Rot. Bonds7

About N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide (PubChem CID 46454558) has the molecular formula C21H21FN4O3S and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
PubChem CID46454558
Molecular FormulaC21H21FN4O3S
Molecular Weight428.49 g/mol
Exact Mass428.13
IUPAC NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESCN(C)c1ncccc1CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C21H21FN4O3S/c1-26(2)20-16(6-5-13-23-20)14-24-21(27)15-9-11-17(12-10-15)30(28,29)25-19-8-4-3-7-18(19)22/h3-13,25H,14H2,1-2H3,(H,24,27)
InChIKeyJRLLNHFLFBQBAL-UHFFFAOYSA-N
XLogP3.02
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 55692728
4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide
CID 55692896
4-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 9246337
3-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 39248461
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 55729837
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide
CID 43017074
3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide
CID 24666950
4-[(2-fluorophenyl)sulfamoyl]-N-(furan-3-ylmethyl)benzamide
CID 55700083
N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 26887031
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55692569
4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide
CID 27647283

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide (CID 46454558) is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide is CN(C)c1ncccc1CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is JRLLNHFLFBQBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3S/c1-26(2)20-16(6-5-13-23-20)14-24-21(27)15-9-11-17(12-10-15)30(28,29)25-19-8-4-3-7-18(19)22/h3-13,25H,14H2,1-2H3,(H,24,27).
What are the key properties of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide?
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 428.49 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 46454558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).