4-(3-chloro-4-fluorophenyl)sulfonyl-2-[(2,5-difluorophenoxy)methyl]morpholine

C17H15ClF3NO4S — CID 3870387

IUPAC4-(3-chloro-4-fluorophenyl)sulfonyl-2-[(2,5-difluorophenoxy)methyl]morpholine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCOC(COc2cc(F)ccc2F)C1
InChIInChI=1S/C17H15ClF3NO4S/c18-14-8-13(2-4-15(14)20)27(23,24)22-5-6-25-12(9-22)10-26-17-7-11(19)1-3-16(17)21/h1-4,7-8,12H,5-6,9-10H2
InChIKeyJKFOBVAOBZZGEN-UHFFFAOYSA-N
MW421.82 g/mol
LogP3.23
Rot. Bonds5

About 4-(3-chloro-4-fluorophenyl)sulfonyl-2-[(2,5-difluorophenoxy)methyl]morpholine

4-(3-chloro-4-fluorophenyl)sulfonyl-2-[(2,5-difluorophenoxy)methyl]morpholine (PubChem CID 3870387) has the molecular formula C17H15ClF3NO4S and a molecular weight of 421.82 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)sulfonyl-2-[(2,5-difluorophenoxy)methyl]morpholine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)sulfonyl-2-[(2,5-difluorophenoxy)methyl]morpholine
PubChem CID3870387
Molecular FormulaC17H15ClF3NO4S
Molecular Weight421.82 g/mol
Exact Mass421.04
IUPAC Name4-(3-chloro-4-fluorophenyl)sulfonyl-2-[(2,5-difluorophenoxy)methyl]morpholine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCOC(COc2cc(F)ccc2F)C1
InChIInChI=1S/C17H15ClF3NO4S/c18-14-8-13(2-4-15(14)20)27(23,24)22-5-6-25-12(9-22)10-26-17-7-11(19)1-3-16(17)21/h1-4,7-8,12H,5-6,9-10H2
InChIKeyJKFOBVAOBZZGEN-UHFFFAOYSA-N
XLogP3.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.82
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3-chloro-4-fluorophenyl)sulfonylmorpholine-2-carboxylate
CID 78926104
4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine
CID 7111818
2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine
CID 81212002
2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine
CID 114264381
[4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398495
[(2R)-4-(4-chlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252815
3-(2-chloro-6-fluorophenyl)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]prop-2-en-1-one
CID 3713766
2-[4-(3,4-difluorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433225
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372226
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030275
(3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79411226

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)sulfonyl-2-[(2,5-difluorophenoxy)methyl]morpholine?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)sulfonyl-2-[(2,5-difluorophenoxy)methyl]morpholine (CID 3870387) is 4-(3-chloro-4-fluorophenyl)sulfonyl-2-[(2,5-difluorophenoxy)methyl]morpholine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)sulfonyl-2-[(2,5-difluorophenoxy)methyl]morpholine?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)sulfonyl-2-[(2,5-difluorophenoxy)methyl]morpholine is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCOC(COc2cc(F)ccc2F)C1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)sulfonyl-2-[(2,5-difluorophenoxy)methyl]morpholine?
The InChIKey is JKFOBVAOBZZGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO4S/c18-14-8-13(2-4-15(14)20)27(23,24)22-5-6-25-12(9-22)10-26-17-7-11(19)1-3-16(17)21/h1-4,7-8,12H,5-6,9-10H2.
What are the key properties of 4-(3-chloro-4-fluorophenyl)sulfonyl-2-[(2,5-difluorophenoxy)methyl]morpholine?
4-(3-chloro-4-fluorophenyl)sulfonyl-2-[(2,5-difluorophenoxy)methyl]morpholine has a molecular weight of 421.82 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)sulfonyl-2-[(2,5-difluorophenoxy)methyl]morpholine is sourced from PubChem (CID 3870387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).