N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2-difluoropropylsulfamoyl)benzamide

C21H18ClF2N3O3S — CID 118014898

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2-difluoropropylsulfamoyl)benzamide
SMILESCC(F)(F)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C21H18ClF2N3O3S/c1-21(23,24)13-26-31(29,30)16-8-5-14(6-9-16)20(28)27-15-7-10-18(22)17(12-15)19-4-2-3-11-25-19/h2-12,26H,13H2,1H3,(H,27,28)
InChIKeyZLLAMNBUMCVPPY-UHFFFAOYSA-N
MW465.91 g/mol
LogP4.59
Rot. Bonds7

About N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2-difluoropropylsulfamoyl)benzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2-difluoropropylsulfamoyl)benzamide (PubChem CID 118014898) has the molecular formula C21H18ClF2N3O3S and a molecular weight of 465.91 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2-difluoropropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2-difluoropropylsulfamoyl)benzamide
PubChem CID118014898
Molecular FormulaC21H18ClF2N3O3S
Molecular Weight465.91 g/mol
Exact Mass465.07
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2-difluoropropylsulfamoyl)benzamide
SMILESCC(F)(F)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C21H18ClF2N3O3S/c1-21(23,24)13-26-31(29,30)16-8-5-14(6-9-16)20(28)27-15-7-10-18(22)17(12-15)19-4-2-3-11-25-19/h2-12,26H,13H2,1H3,(H,27,28)
InChIKeyZLLAMNBUMCVPPY-UHFFFAOYSA-N
XLogP4.59
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.91
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 17617945
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4-{[(4-Chloro-benzenesulfonyl)-pyridin-2-ylmethyl-amino]-methyl}-N-(1-phenyl-cyclopropyl)-benzamide
CID 44237762
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2-difluoropropylsulfamoyl)benzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2-difluoropropylsulfamoyl)benzamide (CID 118014898) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2-difluoropropylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2-difluoropropylsulfamoyl)benzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2-difluoropropylsulfamoyl)benzamide is CC(F)(F)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2-difluoropropylsulfamoyl)benzamide?
The InChIKey is ZLLAMNBUMCVPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF2N3O3S/c1-21(23,24)13-26-31(29,30)16-8-5-14(6-9-16)20(28)27-15-7-10-18(22)17(12-15)19-4-2-3-11-25-19/h2-12,26H,13H2,1H3,(H,27,28).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2-difluoropropylsulfamoyl)benzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2-difluoropropylsulfamoyl)benzamide has a molecular weight of 465.91 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2-difluoropropylsulfamoyl)benzamide is sourced from PubChem (CID 118014898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).