N-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide

C19H15F2N3O3S — CID 58924303

IUPACN-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1ccccc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C19H15F2N3O3S/c20-16-8-7-13(10-17(16)21)11-23-19(25)15-5-1-2-6-18(15)28(26,27)24-14-4-3-9-22-12-14/h1-10,12,24H,11H2,(H,23,25)
InChIKeyMTWNTUVFMLOHRI-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.09
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide

N-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide (PubChem CID 58924303) has the molecular formula C19H15F2N3O3S and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
PubChem CID58924303
Molecular FormulaC19H15F2N3O3S
Molecular Weight403.41 g/mol
Exact Mass403.08
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1ccccc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C19H15F2N3O3S/c20-16-8-7-13(10-17(16)21)11-23-19(25)15-5-1-2-6-18(15)28(26,27)24-14-4-3-9-22-12-14/h1-10,12,24H,11H2,(H,23,25)
InChIKeyMTWNTUVFMLOHRI-UHFFFAOYSA-N
XLogP3.09
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924121
N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924237
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924259
2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033482
4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81227434
N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924260
2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 4670957
3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 66482974
N-benzyl-N-ethyl-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924072
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
N-[(3,4-difluorophenyl)methyl]-3-pyridin-3-yl-1-benzofuran-7-carboxamide
CID 46943597
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 58924134

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide (CID 58924303) is N-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide is O=C(NCc1ccc(F)c(F)c1)c1ccccc1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide?
The InChIKey is MTWNTUVFMLOHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3S/c20-16-8-7-13(10-17(16)21)11-23-19(25)15-5-1-2-6-18(15)28(26,27)24-14-4-3-9-22-12-14/h1-10,12,24H,11H2,(H,23,25).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide?
N-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide has a molecular weight of 403.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide is sourced from PubChem (CID 58924303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).