4-[5-(1-benzofuran-7-yl)-2-fluorophenyl]sulfonylmorpholine

C18H16FNO4S — CID 151860649

IUPAC4-[5-(1-benzofuran-7-yl)-2-fluorophenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cc(-c2cccc3ccoc23)ccc1F)N1CCOCC1
InChIInChI=1S/C18H16FNO4S/c19-16-5-4-14(15-3-1-2-13-6-9-24-18(13)15)12-17(16)25(21,22)20-7-10-23-11-8-20/h1-6,9,12H,7-8,10-11H2
InChIKeySKQLQCNNPONVQW-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.26
Rot. Bonds3

About 4-[5-(1-benzofuran-7-yl)-2-fluorophenyl]sulfonylmorpholine

4-[5-(1-benzofuran-7-yl)-2-fluorophenyl]sulfonylmorpholine (PubChem CID 151860649) has the molecular formula C18H16FNO4S and a molecular weight of 361.39 g/mol. Its IUPAC name is 4-[5-(1-benzofuran-7-yl)-2-fluorophenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[5-(1-benzofuran-7-yl)-2-fluorophenyl]sulfonylmorpholine
PubChem CID151860649
Molecular FormulaC18H16FNO4S
Molecular Weight361.39 g/mol
Exact Mass361.08
IUPAC Name4-[5-(1-benzofuran-7-yl)-2-fluorophenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cc(-c2cccc3ccoc23)ccc1F)N1CCOCC1
InChIInChI=1S/C18H16FNO4S/c19-16-5-4-14(15-3-1-2-13-6-9-24-18(13)15)12-17(16)25(21,22)20-7-10-23-11-8-20/h1-6,9,12H,7-8,10-11H2
InChIKeySKQLQCNNPONVQW-UHFFFAOYSA-N
XLogP3.26
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Oxa-4,9-diazaspiro[5.5]undecan-3-one, 9-[[4-(5-benzofuranyl)phenyl]sulfonyl]-4-ethyl-
CID 69081490
1,1'-(Dibenzo[b,d]furan-2,8-diyldisulfonyl)dipiperidine
CID 2925016
N-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzo[b,d]furan-2-sulfonamide
CID 2972762
[4-(1-Benzofuran-5-yl)phenyl] 4-fluorobenzenesulfonate
CID 155519083
4-(Dibenzo[b,d]furan-2-ylsulfonyl)morpholine
CID 559412
N-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide
CID 2295500
4-Dibenzofuran-3-ylsulfonylmorpholine
CID 2926916
N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]dibenzo[b,d]furan-2-sulfonamide
CID 3236646
4-(1-Benzofuran-2-sulfonyl)morpholine
CID 75494903
Ethyl 1-dibenzofuran-2-ylsulfonylpiperidine-4-carboxylate
CID 2809743
Cambridge id 7050765
CID 2925137
1-(3-Fluorophenyl)sulfonyl-4-[3-(furan-2-yl)phenoxy]piperidine
CID 24733672

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-benzofuran-7-yl)-2-fluorophenyl]sulfonylmorpholine?
The IUPAC name of 4-[5-(1-benzofuran-7-yl)-2-fluorophenyl]sulfonylmorpholine (CID 151860649) is 4-[5-(1-benzofuran-7-yl)-2-fluorophenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[5-(1-benzofuran-7-yl)-2-fluorophenyl]sulfonylmorpholine?
The canonical SMILES for 4-[5-(1-benzofuran-7-yl)-2-fluorophenyl]sulfonylmorpholine is O=S(=O)(c1cc(-c2cccc3ccoc23)ccc1F)N1CCOCC1.
What is the InChIKey of 4-[5-(1-benzofuran-7-yl)-2-fluorophenyl]sulfonylmorpholine?
The InChIKey is SKQLQCNNPONVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4S/c19-16-5-4-14(15-3-1-2-13-6-9-24-18(13)15)12-17(16)25(21,22)20-7-10-23-11-8-20/h1-6,9,12H,7-8,10-11H2.
What are the key properties of 4-[5-(1-benzofuran-7-yl)-2-fluorophenyl]sulfonylmorpholine?
4-[5-(1-benzofuran-7-yl)-2-fluorophenyl]sulfonylmorpholine has a molecular weight of 361.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-benzofuran-7-yl)-2-fluorophenyl]sulfonylmorpholine is sourced from PubChem (CID 151860649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).