(4-fluorophenyl)sulfonyl-(4-morpholin-4-ylphenyl)azanide

C16H16FN2O3S- — CID 4742987

IUPAC(4-fluorophenyl)sulfonyl-(4-morpholin-4-ylphenyl)azanide
SMILESO=S(=O)([N-]c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FN2O3S/c17-13-1-7-16(8-2-13)23(20,21)18-14-3-5-15(6-4-14)19-9-11-22-12-10-19/h1-8H,9-12H2/q-1
InChIKeyQFAHCHHTDBNZIQ-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.06
Rot. Bonds4

About (4-fluorophenyl)sulfonyl-(4-morpholin-4-ylphenyl)azanide

(4-fluorophenyl)sulfonyl-(4-morpholin-4-ylphenyl)azanide (PubChem CID 4742987) has the molecular formula C16H16FN2O3S- and a molecular weight of 335.38 g/mol. Its IUPAC name is (4-fluorophenyl)sulfonyl-(4-morpholin-4-ylphenyl)azanide.

Molecular Properties

Compound Name(4-fluorophenyl)sulfonyl-(4-morpholin-4-ylphenyl)azanide
PubChem CID4742987
Molecular FormulaC16H16FN2O3S-
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC Name(4-fluorophenyl)sulfonyl-(4-morpholin-4-ylphenyl)azanide
SMILESO=S(=O)([N-]c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FN2O3S/c17-13-1-7-16(8-2-13)23(20,21)18-14-3-5-15(6-4-14)19-9-11-22-12-10-19/h1-8H,9-12H2/q-1
InChIKeyQFAHCHHTDBNZIQ-UHFFFAOYSA-N
XLogP3.06
TPSA60.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
3-[4-(4-fluorophenyl)piperazin-1-yl]-4-morpholin-4-ylcyclobut-3-ene-1,2-dione
CID 53368386
4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine
CID 9281205
1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine
CID 141044251
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 27125800
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
4-[2-tert-butyl-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
CID 18889829
[4-(4-fluorophenyl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone
CID 9081821
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 2999407
[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959426

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)sulfonyl-(4-morpholin-4-ylphenyl)azanide?
The IUPAC name of (4-fluorophenyl)sulfonyl-(4-morpholin-4-ylphenyl)azanide (CID 4742987) is (4-fluorophenyl)sulfonyl-(4-morpholin-4-ylphenyl)azanide.
What is the SMILES notation for (4-fluorophenyl)sulfonyl-(4-morpholin-4-ylphenyl)azanide?
The canonical SMILES for (4-fluorophenyl)sulfonyl-(4-morpholin-4-ylphenyl)azanide is O=S(=O)([N-]c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)sulfonyl-(4-morpholin-4-ylphenyl)azanide?
The InChIKey is QFAHCHHTDBNZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN2O3S/c17-13-1-7-16(8-2-13)23(20,21)18-14-3-5-15(6-4-14)19-9-11-22-12-10-19/h1-8H,9-12H2/q-1.
What are the key properties of (4-fluorophenyl)sulfonyl-(4-morpholin-4-ylphenyl)azanide?
(4-fluorophenyl)sulfonyl-(4-morpholin-4-ylphenyl)azanide has a molecular weight of 335.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)sulfonyl-(4-morpholin-4-ylphenyl)azanide is sourced from PubChem (CID 4742987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).