N-[(2-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide

C18H19FN2O2S — CID 4607859

IUPACN-[(2-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide
SMILESO=S(=O)(N=C(c1ccccc1F)N1CCCCC1)c1ccccc1
InChIInChI=1S/C18H19FN2O2S/c19-17-12-6-5-11-16(17)18(21-13-7-2-8-14-21)20-24(22,23)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2
InChIKeyXUCBGMOXORQDNY-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.45
Rot. Bonds3

About N-[(2-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide

N-[(2-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide (PubChem CID 4607859) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide
PubChem CID4607859
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC NameN-[(2-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide
SMILESO=S(=O)(N=C(c1ccccc1F)N1CCCCC1)c1ccccc1
InChIInChI=1S/C18H19FN2O2S/c19-17-12-6-5-11-16(17)18(21-13-7-2-8-14-21)20-24(22,23)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2
InChIKeyXUCBGMOXORQDNY-UHFFFAOYSA-N
XLogP3.45
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide?
The IUPAC name of N-[(2-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide (CID 4607859) is N-[(2-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide is O=S(=O)(N=C(c1ccccc1F)N1CCCCC1)c1ccccc1.
What is the InChIKey of N-[(2-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide?
The InChIKey is XUCBGMOXORQDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c19-17-12-6-5-11-16(17)18(21-13-7-2-8-14-21)20-24(22,23)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2.
What are the key properties of N-[(2-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide?
N-[(2-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide has a molecular weight of 346.43 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide is sourced from PubChem (CID 4607859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).