(NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide

C17H17FN2O2S — CID 6359531

IUPAC(NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide
SMILESO=S(=O)(/N=C(\c1ccccc1)N1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O2S/c18-15-8-10-16(11-9-15)23(21,22)19-17(20-12-4-5-13-20)14-6-2-1-3-7-14/h1-3,6-11H,4-5,12-13H2/b19-17+
InChIKeyMYTWEDIXBYJHDD-HTXNQAPBSA-N
MW332.40 g/mol
LogP3.06
Rot. Bonds3

About (NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide

(NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide (PubChem CID 6359531) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is (NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide
PubChem CID6359531
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name(NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide
SMILESO=S(=O)(/N=C(\c1ccccc1)N1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O2S/c18-15-8-10-16(11-9-15)23(21,22)19-17(20-12-4-5-13-20)14-6-2-1-3-7-14/h1-3,6-11H,4-5,12-13H2/b19-17+
InChIKeyMYTWEDIXBYJHDD-HTXNQAPBSA-N
XLogP3.06
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.06
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
N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide
CID 4704459
(NZ)-4-fluoro-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
CID 6019249
N-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]-phenylmethylidene]benzenesulfonamide
CID 7721969
N'-(benzenesulfonyl)piperidine-1-carboximidamide
CID 75092022
(NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine
CID 15190945
4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
CID 2350134
(1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride
CID 18871869
N'-(4-fluorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide
CID 6024373
N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
CID 6195854
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
N-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methylidene]-4-ethoxybenzenesulfonamide
CID 2336192

Frequently Asked Questions

What is the IUPAC name of (NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide?
The IUPAC name of (NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide (CID 6359531) is (NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide?
The canonical SMILES for (NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide is O=S(=O)(/N=C(\c1ccccc1)N1CCCC1)c1ccc(F)cc1.
What is the InChIKey of (NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide?
The InChIKey is MYTWEDIXBYJHDD-HTXNQAPBSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c18-15-8-10-16(11-9-15)23(21,22)19-17(20-12-4-5-13-20)14-6-2-1-3-7-14/h1-3,6-11H,4-5,12-13H2/b19-17+.
What are the key properties of (NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide?
(NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide has a molecular weight of 332.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide is sourced from PubChem (CID 6359531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).