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

C18H19FN2O2S — CID 4704459

IUPACN-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide
SMILESO=S(=O)(N=C(c1ccc(F)cc1)N1CCCCC1)c1ccccc1
InChIInChI=1S/C18H19FN2O2S/c19-16-11-9-15(10-12-16)18(21-13-5-2-6-14-21)20-24(22,23)17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-14H2
InChIKeyWBSQYYCDSZFQOI-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.45
Rot. Bonds3

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

N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide (PubChem CID 4704459) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide
PubChem CID4704459
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC NameN-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide
SMILESO=S(=O)(N=C(c1ccc(F)cc1)N1CCCCC1)c1ccccc1
InChIInChI=1S/C18H19FN2O2S/c19-16-11-9-15(10-12-16)18(21-13-5-2-6-14-21)20-24(22,23)17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-14H2
InChIKeyWBSQYYCDSZFQOI-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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Related Compounds

(NZ)-N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide
CID 6195817
(NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide
CID 6359531
(NZ)-4-fluoro-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
CID 6019249
N'-(benzenesulfonyl)piperidine-1-carboximidamide
CID 75092022
(1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride
CID 18871869
N-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]-phenylmethylidene]benzenesulfonamide
CID 7721969
N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide
CID 2177177
[3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110661896
(NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine
CID 15190945
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 18169368
1-(4-fluorophenyl)-N-[4-[4-[[(4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]phenyl]sulfonylphenyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]methanimine
CID 58753361
phenyl(piperidin-1-yl)methanone;sulfuryl dichloride
CID 174601511

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide (CID 4704459) is N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide is O=S(=O)(N=C(c1ccc(F)cc1)N1CCCCC1)c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide?
The InChIKey is WBSQYYCDSZFQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c19-16-11-9-15(10-12-16)18(21-13-5-2-6-14-21)20-24(22,23)17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-14H2.
What are the key properties of N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide?
N-[(4-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-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide is sourced from PubChem (CID 4704459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).