4-fluoro-3-piperidin-1-ylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

C23H25FN4O3S — CID 35955466

IUPAC4-fluoro-3-piperidin-1-ylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1Cn1cccn1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H25FN4O3S/c24-21-10-9-18(15-22(21)32(30,31)28-13-4-1-5-14-28)23(29)25-16-19-7-2-3-8-20(19)17-27-12-6-11-26-27/h2-3,6-12,15H,1,4-5,13-14,16-17H2,(H,25,29)
InChIKeyCBBOGLNWCIFVSH-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.18
Rot. Bonds7

About 4-fluoro-3-piperidin-1-ylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

4-fluoro-3-piperidin-1-ylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 35955466) has the molecular formula C23H25FN4O3S and a molecular weight of 456.54 g/mol. Its IUPAC name is 4-fluoro-3-piperidin-1-ylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-piperidin-1-ylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID35955466
Molecular FormulaC23H25FN4O3S
Molecular Weight456.54 g/mol
Exact Mass456.16
IUPAC Name4-fluoro-3-piperidin-1-ylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1Cn1cccn1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H25FN4O3S/c24-21-10-9-18(15-22(21)32(30,31)28-13-4-1-5-14-28)23(29)25-16-19-7-2-3-8-20(19)17-27-12-6-11-26-27/h2-3,6-12,15H,1,4-5,13-14,16-17H2,(H,25,29)
InChIKeyCBBOGLNWCIFVSH-UHFFFAOYSA-N
XLogP3.18
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 44469942
1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138841
N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138852
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 16331978
N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16323468
2-fluoro-N-(pyridin-3-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 4117429
3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16323473
2,4-difluoro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 24560779
2-fluoro-5-(2-phenylethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 25035888
4-[(1-Benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
CID 27304169
4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393122
2-[[3-(1-Benzylpyrazol-4-yl)phenyl]sulfonylamino]benzamide
CID 44607510

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-piperidin-1-ylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-fluoro-3-piperidin-1-ylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (CID 35955466) is 4-fluoro-3-piperidin-1-ylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-piperidin-1-ylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-fluoro-3-piperidin-1-ylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is O=C(NCc1ccccc1Cn1cccn1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-fluoro-3-piperidin-1-ylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is CBBOGLNWCIFVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3S/c24-21-10-9-18(15-22(21)32(30,31)28-13-4-1-5-14-28)23(29)25-16-19-7-2-3-8-20(19)17-27-12-6-11-26-27/h2-3,6-12,15H,1,4-5,13-14,16-17H2,(H,25,29).
What are the key properties of 4-fluoro-3-piperidin-1-ylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
4-fluoro-3-piperidin-1-ylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 456.54 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-piperidin-1-ylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 35955466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).