N-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide

C19H21FN2O3S — CID 2122704

IUPACN-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccccc1F)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H21FN2O3S/c20-18-10-3-2-7-16(18)14-21-19(23)15-8-6-9-17(13-15)26(24,25)22-11-4-1-5-12-22/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,21,23)
InChIKeyPWRHBVGBHHUTPW-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.93
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide

N-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2122704) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2122704
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccccc1F)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H21FN2O3S/c20-18-10-3-2-7-16(18)14-21-19(23)15-8-6-9-17(13-15)26(24,25)22-11-4-1-5-12-22/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,21,23)
InChIKeyPWRHBVGBHHUTPW-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide (CID 2122704) is N-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide is O=C(NCc1ccccc1F)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is PWRHBVGBHHUTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-18-10-3-2-7-16(18)14-21-19(23)15-8-6-9-17(13-15)26(24,25)22-11-4-1-5-12-22/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,21,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 376.45 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2122704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).