N-benzyl-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide

C20H23FN2O3S — CID 1326018

IUPACN-benzyl-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN2O3S/c1-22(15-16-5-3-2-4-6-16)20(24)17-11-13-23(14-12-17)27(25,26)19-9-7-18(21)8-10-19/h2-10,17H,11-15H2,1H3
InChIKeyREYTXORDSGWJJO-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.88
Rot. Bonds5

About N-benzyl-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide

N-benzyl-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide (PubChem CID 1326018) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-benzyl-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
PubChem CID1326018
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-benzyl-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN2O3S/c1-22(15-16-5-3-2-4-6-16)20(24)17-11-13-23(14-12-17)27(25,26)19-9-7-18(21)8-10-19/h2-10,17H,11-15H2,1H3
InChIKeyREYTXORDSGWJJO-UHFFFAOYSA-N
XLogP2.88
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide (CID 1326018) is N-benzyl-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide is CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-benzyl-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The InChIKey is REYTXORDSGWJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-22(15-16-5-3-2-4-6-16)20(24)17-11-13-23(14-12-17)27(25,26)19-9-7-18(21)8-10-19/h2-10,17H,11-15H2,1H3.
What are the key properties of N-benzyl-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
N-benzyl-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 1326018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).