N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

C19H20ClFN2O3S — CID 1209529

IUPACN-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20ClFN2O3S/c20-18-4-2-1-3-15(18)13-22-19(24)14-9-11-23(12-10-14)27(25,26)17-7-5-16(21)6-8-17/h1-8,14H,9-13H2,(H,22,24)
InChIKeyLMAYKXLISQJAEJ-UHFFFAOYSA-N
MW410.90 g/mol
LogP3.20
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1209529) has the molecular formula C19H20ClFN2O3S and a molecular weight of 410.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1209529
Molecular FormulaC19H20ClFN2O3S
Molecular Weight410.90 g/mol
Exact Mass410.09
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20ClFN2O3S/c20-18-4-2-1-3-15(18)13-22-19(24)14-9-11-23(12-10-14)27(25,26)17-7-5-16(21)6-8-17/h1-8,14H,9-13H2,(H,22,24)
InChIKeyLMAYKXLISQJAEJ-UHFFFAOYSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 1209529) is N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is LMAYKXLISQJAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3S/c20-18-4-2-1-3-15(18)13-22-19(24)14-9-11-23(12-10-14)27(25,26)17-7-5-16(21)6-8-17/h1-8,14H,9-13H2,(H,22,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 410.90 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1209529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).