2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine

C17H18FNO3S — CID 110643937

IUPAC2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C17H18FNO3S/c18-15-6-8-17(9-7-15)23(20,21)19-10-11-22-16(13-19)12-14-4-2-1-3-5-14/h1-9,16H,10-13H2
InChIKeyAWQRBPUERKRUFU-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.46
Rot. Bonds4

About 2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine

2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine (PubChem CID 110643937) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine
PubChem CID110643937
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C17H18FNO3S/c18-15-6-8-17(9-7-15)23(20,21)19-10-11-22-16(13-19)12-14-4-2-1-3-5-14/h1-9,16H,10-13H2
InChIKeyAWQRBPUERKRUFU-UHFFFAOYSA-N
XLogP2.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine
CID 110643940
(2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine
CID 25279605
2-benzyl-4-benzylsulfonylmorpholine
CID 71801614
(2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine
CID 28732849
2-benzyl-4-(2-phenylethylsulfonyl)morpholine
CID 110643972
4-(4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 43388105
4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane
CID 162795674
methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate
CID 79771144
(2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine
CID 125138388
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
[(2R)-4-(4-chlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252815
4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine
CID 113242547

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine?
The IUPAC name of 2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine (CID 110643937) is 2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine.
What is the SMILES notation for 2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine?
The canonical SMILES for 2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine is O=S(=O)(c1ccc(F)cc1)N1CCOC(Cc2ccccc2)C1.
What is the InChIKey of 2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine?
The InChIKey is AWQRBPUERKRUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c18-15-6-8-17(9-7-15)23(20,21)19-10-11-22-16(13-19)12-14-4-2-1-3-5-14/h1-9,16H,10-13H2.
What are the key properties of 2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine?
2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine has a molecular weight of 335.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine is sourced from PubChem (CID 110643937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).