N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]-4-methylbenzenesulfonamide

C19H21FN2O2S — CID 2138713

IUPACN-[(4-fluorophenyl)-piperidin-1-ylmethylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C(c2ccc(F)cc2)N2CCCCC2)cc1
InChIInChI=1S/C19H21FN2O2S/c1-15-5-11-18(12-6-15)25(23,24)21-19(22-13-3-2-4-14-22)16-7-9-17(20)10-8-16/h5-12H,2-4,13-14H2,1H3
InChIKeyUAHAGJBAMIJEIH-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.76
Rot. Bonds3

About N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]-4-methylbenzenesulfonamide

N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]-4-methylbenzenesulfonamide (PubChem CID 2138713) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-piperidin-1-ylmethylidene]-4-methylbenzenesulfonamide
PubChem CID2138713
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC NameN-[(4-fluorophenyl)-piperidin-1-ylmethylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C(c2ccc(F)cc2)N2CCCCC2)cc1
InChIInChI=1S/C19H21FN2O2S/c1-15-5-11-18(12-6-15)25(23,24)21-19(22-13-3-2-4-14-22)16-7-9-17(20)10-8-16/h5-12H,2-4,13-14H2,1H3
InChIKeyUAHAGJBAMIJEIH-UHFFFAOYSA-N
XLogP3.76
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.76
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-[(4-fluorophenyl)-piperidin-1-ylmethylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]-4-methylbenzenesulfonamide (CID 2138713) is N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=C(c2ccc(F)cc2)N2CCCCC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]-4-methylbenzenesulfonamide?
The InChIKey is UAHAGJBAMIJEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-15-5-11-18(12-6-15)25(23,24)21-19(22-13-3-2-4-14-22)16-7-9-17(20)10-8-16/h5-12H,2-4,13-14H2,1H3.
What are the key properties of N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]-4-methylbenzenesulfonamide?
N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]-4-methylbenzenesulfonamide has a molecular weight of 360.45 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2138713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).