2,6-difluoro-N-[2-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenyl]benzamide

C23H17F2N3O3S — CID 4291657

IUPAC2,6-difluoro-N-[2-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenyl]benzamide
SMILESCS(=O)(=O)c1ccc(-n2cc(-c3ccccc3NC(=O)c3c(F)cccc3F)cn2)cc1
InChIInChI=1S/C23H17F2N3O3S/c1-32(30,31)17-11-9-16(10-12-17)28-14-15(13-26-28)18-5-2-3-8-21(18)27-23(29)22-19(24)6-4-7-20(22)25/h2-14H,1H3,(H,27,29)
InChIKeyVPSHFVPQGJGBCX-UHFFFAOYSA-N
MW453.47 g/mol
LogP4.47
Rot. Bonds5

About 2,6-difluoro-N-[2-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenyl]benzamide

2,6-difluoro-N-[2-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenyl]benzamide (PubChem CID 4291657) has the molecular formula C23H17F2N3O3S and a molecular weight of 453.47 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenyl]benzamide
PubChem CID4291657
Molecular FormulaC23H17F2N3O3S
Molecular Weight453.47 g/mol
Exact Mass453.10
IUPAC Name2,6-difluoro-N-[2-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenyl]benzamide
SMILESCS(=O)(=O)c1ccc(-n2cc(-c3ccccc3NC(=O)c3c(F)cccc3F)cn2)cc1
InChIInChI=1S/C23H17F2N3O3S/c1-32(30,31)17-11-9-16(10-12-17)28-14-15(13-26-28)18-5-2-3-8-21(18)27-23(29)22-19(24)6-4-7-20(22)25/h2-14H,1H3,(H,27,29)
InChIKeyVPSHFVPQGJGBCX-UHFFFAOYSA-N
XLogP4.47
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide
CID 44468570
1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indazole-4-carboxamide
CID 44468708
[2-(2-Fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[2-(3-fluorophenyl)-5-methylsulfonylphenyl]methanone
CID 118479452
5,5-dioxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide
CID 46230666
3-(4-Fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide
CID 76332758
N-(2-methyl-5-methylsulfonylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
CID 118725459
3-(trans-2-((1,1-dioxidotetrahydro-2H-thiopyran-4-yl)amino)cyclopropyl)-N-(1-(4-fluorophenyl)-1H-pyrazol-4-yl)benzamide dihydrochloride
CID 118305156
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2123428
4-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
CID 147709549
3-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide
CID 148637488
1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide
CID 131955137
3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16323473

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenyl]benzamide (CID 4291657) is 2,6-difluoro-N-[2-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenyl]benzamide is CS(=O)(=O)c1ccc(-n2cc(-c3ccccc3NC(=O)c3c(F)cccc3F)cn2)cc1.
What is the InChIKey of 2,6-difluoro-N-[2-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenyl]benzamide?
The InChIKey is VPSHFVPQGJGBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O3S/c1-32(30,31)17-11-9-16(10-12-17)28-14-15(13-26-28)18-5-2-3-8-21(18)27-23(29)22-19(24)6-4-7-20(22)25/h2-14H,1H3,(H,27,29).
What are the key properties of 2,6-difluoro-N-[2-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenyl]benzamide?
2,6-difluoro-N-[2-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenyl]benzamide has a molecular weight of 453.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 4291657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).