1-(benzenesulfonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

C19H21FN2O3S — CID 2444257

IUPAC1-(benzenesulfonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21FN2O3S/c20-18-9-5-4-6-16(18)14-21-19(23)15-10-12-22(13-11-15)26(24,25)17-7-2-1-3-8-17/h1-9,15H,10-14H2,(H,21,23)
InChIKeyMZBJVZVQXPSZSE-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.54
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 2444257) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID2444257
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name1-(benzenesulfonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21FN2O3S/c20-18-9-5-4-6-16(18)14-21-19(23)15-10-12-22(13-11-15)26(24,25)17-7-2-1-3-8-17/h1-9,15H,10-14H2,(H,21,23)
InChIKeyMZBJVZVQXPSZSE-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide (CID 2444257) is 1-(benzenesulfonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccccc1F)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is MZBJVZVQXPSZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-18-9-5-4-6-16(18)14-21-19(23)15-10-12-22(13-11-15)26(24,25)17-7-2-1-3-8-17/h1-9,15H,10-14H2,(H,21,23).
What are the key properties of 1-(benzenesulfonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 2444257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).