(NZ)-4-fluoro-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide

C17H17FN2O3S — CID 6019249

IUPAC(NZ)-4-fluoro-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
SMILESO=S(=O)(/N=C(/c1ccccc1)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3S/c18-15-6-8-16(9-7-15)24(21,22)19-17(14-4-2-1-3-5-14)20-10-12-23-13-11-20/h1-9H,10-13H2/b19-17-
InChIKeyPQAIDXXYCKVEPR-ZPHPHTNESA-N
MW348.40 g/mol
LogP2.29
Rot. Bonds3

About (NZ)-4-fluoro-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide

(NZ)-4-fluoro-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide (PubChem CID 6019249) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is (NZ)-4-fluoro-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-fluoro-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
PubChem CID6019249
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name(NZ)-4-fluoro-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
SMILESO=S(=O)(/N=C(/c1ccccc1)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3S/c18-15-6-8-16(9-7-15)24(21,22)19-17(14-4-2-1-3-5-14)20-10-12-23-13-11-20/h1-9H,10-13H2/b19-17-
InChIKeyPQAIDXXYCKVEPR-ZPHPHTNESA-N
XLogP2.29
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide
CID 6359531
(NZ)-N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide
CID 6195817
N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide
CID 4704459
4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
CID 2350134
N-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]-phenylmethylidene]benzenesulfonamide
CID 7721969
2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone
CID 1486407
[(2R)-3-(4-fluorophenyl)sulfonyl-2-phenylimidazolidin-1-yl]-morpholin-4-ylmethanone
CID 8768152
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287
1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione
CID 82116829
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 18208683
3-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 138989242

Frequently Asked Questions

What is the IUPAC name of (NZ)-4-fluoro-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide?
The IUPAC name of (NZ)-4-fluoro-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide (CID 6019249) is (NZ)-4-fluoro-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-4-fluoro-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-4-fluoro-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide is O=S(=O)(/N=C(/c1ccccc1)N1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of (NZ)-4-fluoro-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide?
The InChIKey is PQAIDXXYCKVEPR-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-15-6-8-16(9-7-15)24(21,22)19-17(14-4-2-1-3-5-14)20-10-12-23-13-11-20/h1-9H,10-13H2/b19-17-.
What are the key properties of (NZ)-4-fluoro-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide?
(NZ)-4-fluoro-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide has a molecular weight of 348.40 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-fluoro-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide is sourced from PubChem (CID 6019249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).