2-(2-chloro-4-fluorophenyl)-4-(oxolan-3-ylsulfonyl)morpholine

C14H17ClFNO4S — CID 138043834

IUPAC2-(2-chloro-4-fluorophenyl)-4-(oxolan-3-ylsulfonyl)morpholine
SMILESO=S(=O)(C1CCOC1)N1CCOC(c2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H17ClFNO4S/c15-13-7-10(16)1-2-12(13)14-8-17(4-6-21-14)22(18,19)11-3-5-20-9-11/h1-2,7,11,14H,3-6,8-9H2
InChIKeyLPIFWJIKCBPPSA-UHFFFAOYSA-N
MW349.81 g/mol
LogP1.97
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-4-(oxolan-3-ylsulfonyl)morpholine

2-(2-chloro-4-fluorophenyl)-4-(oxolan-3-ylsulfonyl)morpholine (PubChem CID 138043834) has the molecular formula C14H17ClFNO4S and a molecular weight of 349.81 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-4-(oxolan-3-ylsulfonyl)morpholine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-4-(oxolan-3-ylsulfonyl)morpholine
PubChem CID138043834
Molecular FormulaC14H17ClFNO4S
Molecular Weight349.81 g/mol
Exact Mass349.06
IUPAC Name2-(2-chloro-4-fluorophenyl)-4-(oxolan-3-ylsulfonyl)morpholine
SMILESO=S(=O)(C1CCOC1)N1CCOC(c2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H17ClFNO4S/c15-13-7-10(16)1-2-12(13)14-8-17(4-6-21-14)22(18,19)11-3-5-20-9-11/h1-2,7,11,14H,3-6,8-9H2
InChIKeyLPIFWJIKCBPPSA-UHFFFAOYSA-N
XLogP1.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-chloro-4-fluorophenyl)-4-(2-ethylsulfonylethyl)morpholine
CID 124619802
2-(2-chlorophenyl)-4-(3-chlorophenyl)sulfonylmorpholine
CID 110326938
5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
CID 154746798
N-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide
CID 166411739
2-(2-chloro-4-fluorophenyl)-N-[(1R,3S)-3-cyanocyclopentyl]morpholine-4-carboxamide
CID 136582999
(2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine
CID 124619828
(2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine
CID 124619492
4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine
CID 56581847
1,3-benzodioxol-4-yl-[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methanone
CID 99823003
5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904693
2-[[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]pyrimidin-4-amine
CID 124619849
4-(2-chloro-5-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
CID 75494719

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-4-(oxolan-3-ylsulfonyl)morpholine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-4-(oxolan-3-ylsulfonyl)morpholine (CID 138043834) is 2-(2-chloro-4-fluorophenyl)-4-(oxolan-3-ylsulfonyl)morpholine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-4-(oxolan-3-ylsulfonyl)morpholine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-4-(oxolan-3-ylsulfonyl)morpholine is O=S(=O)(C1CCOC1)N1CCOC(c2ccc(F)cc2Cl)C1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-4-(oxolan-3-ylsulfonyl)morpholine?
The InChIKey is LPIFWJIKCBPPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO4S/c15-13-7-10(16)1-2-12(13)14-8-17(4-6-21-14)22(18,19)11-3-5-20-9-11/h1-2,7,11,14H,3-6,8-9H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-4-(oxolan-3-ylsulfonyl)morpholine?
2-(2-chloro-4-fluorophenyl)-4-(oxolan-3-ylsulfonyl)morpholine has a molecular weight of 349.81 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-4-(oxolan-3-ylsulfonyl)morpholine is sourced from PubChem (CID 138043834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).