cyclopropyl-[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanone

C14H14F3NO4S — CID 136542506

IUPACcyclopropyl-[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanone
SMILESO=C(C1CC1)C1CN(S(=O)(=O)c2ccc(F)c(F)c2F)CCO1
InChIInChI=1S/C14H14F3NO4S/c15-9-3-4-11(13(17)12(9)16)23(20,21)18-5-6-22-10(7-18)14(19)8-1-2-8/h3-4,8,10H,1-2,5-7H2
InChIKeyGFGALESPTWFTAW-UHFFFAOYSA-N
MW349.33 g/mol
LogP1.47
Rot. Bonds4

About cyclopropyl-[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanone

cyclopropyl-[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanone (PubChem CID 136542506) has the molecular formula C14H14F3NO4S and a molecular weight of 349.33 g/mol. Its IUPAC name is cyclopropyl-[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanone
PubChem CID136542506
Molecular FormulaC14H14F3NO4S
Molecular Weight349.33 g/mol
Exact Mass349.06
IUPAC Namecyclopropyl-[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanone
SMILESO=C(C1CC1)C1CN(S(=O)(=O)c2ccc(F)c(F)c2F)CCO1
InChIInChI=1S/C14H14F3NO4S/c15-9-3-4-11(13(17)12(9)16)23(20,21)18-5-6-22-10(7-18)14(19)8-1-2-8/h3-4,8,10H,1-2,5-7H2
InChIKeyGFGALESPTWFTAW-UHFFFAOYSA-N
XLogP1.47
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398416
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol
CID 79031400
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120712583
(3S,4S)-4-hydroxy-1-(2,3,4-trifluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 135100519
cyclopropyl-[(2R)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholin-2-yl]methanone
CID 100762109
N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120706957
(4aS,8aS)-2-(2,3,4-trifluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926596
1-(2,3,4-trifluorophenyl)sulfonylpiperidine
CID 60639503
2,2,2-trifluoro-N-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-yl]acetamide
CID 3425446
1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 43556384
N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine
CID 62534665
4-(2,4-difluorophenyl)sulfonylmorpholine-2-carbothioamide
CID 79674677

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanone (CID 136542506) is cyclopropyl-[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanone is O=C(C1CC1)C1CN(S(=O)(=O)c2ccc(F)c(F)c2F)CCO1.
What is the InChIKey of cyclopropyl-[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanone?
The InChIKey is GFGALESPTWFTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO4S/c15-9-3-4-11(13(17)12(9)16)23(20,21)18-5-6-22-10(7-18)14(19)8-1-2-8/h3-4,8,10H,1-2,5-7H2.
What are the key properties of cyclopropyl-[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanone?
cyclopropyl-[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanone has a molecular weight of 349.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanone is sourced from PubChem (CID 136542506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).