N-hydroxy-1-methyl-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide

C21H22F4N2O5S — CID 11755309

IUPACN-hydroxy-1-methyl-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)cc2)CC1
InChIInChI=1S/C21H22F4N2O5S/c1-27-12-10-20(11-13-27,19(28)26-29)33(30,31)17-8-4-15(5-9-17)14-2-6-16(7-3-14)32-21(24,25)18(22)23/h2-9,18,29H,10-13H2,1H3,(H,26,28)
InChIKeyHJWJWIAKELKVBQ-UHFFFAOYSA-N
MW490.48 g/mol
LogP3.33
Rot. Bonds7

About N-hydroxy-1-methyl-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide

N-hydroxy-1-methyl-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 11755309) has the molecular formula C21H22F4N2O5S and a molecular weight of 490.48 g/mol. Its IUPAC name is N-hydroxy-1-methyl-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-methyl-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID11755309
Molecular FormulaC21H22F4N2O5S
Molecular Weight490.48 g/mol
Exact Mass490.12
IUPAC NameN-hydroxy-1-methyl-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)cc2)CC1
InChIInChI=1S/C21H22F4N2O5S/c1-27-12-10-20(11-13-27,19(28)26-29)33(30,31)17-8-4-15(5-9-17)14-2-6-16(7-3-14)32-21(24,25)18(22)23/h2-9,18,29H,10-13H2,1H3,(H,26,28)
InChIKeyHJWJWIAKELKVBQ-UHFFFAOYSA-N
XLogP3.33
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-methyl-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-hydroxy-1-methyl-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide (CID 11755309) is N-hydroxy-1-methyl-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-1-methyl-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-1-methyl-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide is CN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)cc2)CC1.
What is the InChIKey of N-hydroxy-1-methyl-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is HJWJWIAKELKVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4N2O5S/c1-27-12-10-20(11-13-27,19(28)26-29)33(30,31)17-8-4-15(5-9-17)14-2-6-16(7-3-14)32-21(24,25)18(22)23/h2-9,18,29H,10-13H2,1H3,(H,26,28).
What are the key properties of N-hydroxy-1-methyl-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide?
N-hydroxy-1-methyl-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 490.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-methyl-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 11755309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).