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

C23H25FN4O3S — CID 27053049

IUPAC4-fluoro-3-piperidin-1-ylsulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H25FN4O3S/c24-21-10-9-20(15-22(21)32(30,31)28-13-2-1-3-14-28)23(29)25-16-18-5-7-19(8-6-18)17-27-12-4-11-26-27/h4-12,15H,1-3,13-14,16-17H2,(H,25,29)
InChIKeyUQEBMYJQMKITQT-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.18
Rot. Bonds7

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

4-fluoro-3-piperidin-1-ylsulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 27053049) 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-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-piperidin-1-ylsulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID27053049
Molecular FormulaC23H25FN4O3S
Molecular Weight456.54 g/mol
Exact Mass456.16
IUPAC Name4-fluoro-3-piperidin-1-ylsulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H25FN4O3S/c24-21-10-9-20(15-22(21)32(30,31)28-13-2-1-3-14-28)23(29)25-16-18-5-7-19(8-6-18)17-27-12-4-11-26-27/h4-12,15H,1-3,13-14,16-17H2,(H,25,29)
InChIKeyUQEBMYJQMKITQT-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

4-[[[3-(1-methylpyrazol-3-yl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70654733
N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431497
N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431517
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16322478
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 16331978
4-fluoro-N-[[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 155516101
4-[[(4-Fluorophenyl)sulfonylamino]methyl]-~{n}-(Pyridin-3-Ylmethyl)benzamide
CID 5165428
N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16323468
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 16323929
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-fluoro-5-(2-phenylethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 25035888

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-piperidin-1-ylsulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-fluoro-3-piperidin-1-ylsulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (CID 27053049) is 4-fluoro-3-piperidin-1-ylsulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-piperidin-1-ylsulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-fluoro-3-piperidin-1-ylsulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-fluoro-3-piperidin-1-ylsulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is UQEBMYJQMKITQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3S/c24-21-10-9-20(15-22(21)32(30,31)28-13-2-1-3-14-28)23(29)25-16-18-5-7-19(8-6-18)17-27-12-4-11-26-27/h4-12,15H,1-3,13-14,16-17H2,(H,25,29).
What are the key properties of 4-fluoro-3-piperidin-1-ylsulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
4-fluoro-3-piperidin-1-ylsulfonyl-N-[[4-(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-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 27053049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).