N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide

C19H19F3N2O3S — CID 47053580

IUPACN-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide
SMILESO=C(NC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H19F3N2O3S/c20-14-3-1-13(2-4-14)18(25)23-15-9-11-24(12-10-15)16-5-7-17(8-6-16)28(26,27)19(21)22/h1-8,15,19H,9-12H2,(H,23,25)
InChIKeyGBQONJNMTLXOGY-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.22
Rot. Bonds5

About N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide

N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide (PubChem CID 47053580) has the molecular formula C19H19F3N2O3S and a molecular weight of 412.43 g/mol. Its IUPAC name is N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide
PubChem CID47053580
Molecular FormulaC19H19F3N2O3S
Molecular Weight412.43 g/mol
Exact Mass412.11
IUPAC NameN-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide
SMILESO=C(NC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H19F3N2O3S/c20-14-3-1-13(2-4-14)18(25)23-15-9-11-24(12-10-15)16-5-7-17(8-6-16)28(26,27)19(21)22/h1-8,15,19H,9-12H2,(H,23,25)
InChIKeyGBQONJNMTLXOGY-UHFFFAOYSA-N
XLogP3.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387742
N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49432488
N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide
CID 35400948
[1-(4-fluorophenyl)piperidin-4-yl]urea
CID 68772038
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691
N-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide
CID 133287695
N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide
CID 42907504
[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol
CID 47054198
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
N-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)benzamide
CID 155988728
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide
CID 49074013
N-cyclopropyl-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813653

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide (CID 47053580) is N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide is O=C(NC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is GBQONJNMTLXOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3S/c20-14-3-1-13(2-4-14)18(25)23-15-9-11-24(12-10-15)16-5-7-17(8-6-16)28(26,27)19(21)22/h1-8,15,19H,9-12H2,(H,23,25).
What are the key properties of N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide?
N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 412.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 47053580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).