1-(5-chloro-2-methoxyphenyl)-2-fluoro-4-(4-fluorophenyl)sulfonylbenzene

C19H13ClF2O3S — CID 67240864

IUPAC1-(5-chloro-2-methoxyphenyl)-2-fluoro-4-(4-fluorophenyl)sulfonylbenzene
SMILESCOc1ccc(Cl)cc1-c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1F
InChIInChI=1S/C19H13ClF2O3S/c1-25-19-9-2-12(20)10-17(19)16-8-7-15(11-18(16)22)26(23,24)14-5-3-13(21)4-6-14/h2-11H,1H3
InChIKeyDNYTZKHVDJUPLT-UHFFFAOYSA-N
MW394.83 g/mol
LogP5.13
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-2-fluoro-4-(4-fluorophenyl)sulfonylbenzene

1-(5-chloro-2-methoxyphenyl)-2-fluoro-4-(4-fluorophenyl)sulfonylbenzene (PubChem CID 67240864) has the molecular formula C19H13ClF2O3S and a molecular weight of 394.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-fluoro-4-(4-fluorophenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-fluoro-4-(4-fluorophenyl)sulfonylbenzene
PubChem CID67240864
Molecular FormulaC19H13ClF2O3S
Molecular Weight394.83 g/mol
Exact Mass394.02
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-fluoro-4-(4-fluorophenyl)sulfonylbenzene
SMILESCOc1ccc(Cl)cc1-c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1F
InChIInChI=1S/C19H13ClF2O3S/c1-25-19-9-2-12(20)10-17(19)16-8-7-15(11-18(16)22)26(23,24)14-5-3-13(21)4-6-14/h2-11H,1H3
InChIKeyDNYTZKHVDJUPLT-UHFFFAOYSA-N
XLogP5.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.83
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Chloro-4-methoxyphenyl)-4,5-difluoro-2-[4-(methylsulfonyl)phenyl]benzene
CID 10716420
4-(4-Chlorophenyl)sulfonyl-5,8-difluoro-4-methyl-2,3-dihydrochromene
CID 24875617
4-(4-Chlorophenyl)sulfonyl-4-ethyl-5,8-difluoro-2,3-dihydrochromene
CID 24875895
3-(3-Chloro-4-methoxyphenyl)-1,2-difluoro-4-(4-methylsulfonylphenyl)benzene
CID 44394275
(2R,4S)-4-(4-chlorophenyl)sulfonyl-2,4-diethyl-5,8-difluoro-2,3-dihydrochromene
CID 46884826
(3S,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dimethyl-2,3-dihydrochromene
CID 46884863
(3S,4S)-4-(4-chlorophenyl)sulfonyl-3-ethyl-5,8-difluoro-4-methyl-2,3-dihydrochromene
CID 46884864
2-Chloro-1-methoxy-4-[2-[4-(methylsulfonyl)phenyl]phenyl]benzene
CID 10667040
(2R,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2,4-dimethyl-2,3-dihydrochromene
CID 46884784
1,3-Dichloro-5-[(4-ethylsulfonylphenyl)methoxymethyl]-2-[2-(trifluoromethoxy)phenyl]benzene
CID 162665258
1,3-Dichloro-5-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-2-methoxybenzene
CID 10789363
[2-Chloro-4-[2-(fluoromethoxy)phenyl]phenyl]-imino-methyl-oxo-lambda6-sulfane
CID 168288033

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-fluoro-4-(4-fluorophenyl)sulfonylbenzene?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-fluoro-4-(4-fluorophenyl)sulfonylbenzene (CID 67240864) is 1-(5-chloro-2-methoxyphenyl)-2-fluoro-4-(4-fluorophenyl)sulfonylbenzene.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-fluoro-4-(4-fluorophenyl)sulfonylbenzene?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-fluoro-4-(4-fluorophenyl)sulfonylbenzene is COc1ccc(Cl)cc1-c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1F.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-fluoro-4-(4-fluorophenyl)sulfonylbenzene?
The InChIKey is DNYTZKHVDJUPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2O3S/c1-25-19-9-2-12(20)10-17(19)16-8-7-15(11-18(16)22)26(23,24)14-5-3-13(21)4-6-14/h2-11H,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-fluoro-4-(4-fluorophenyl)sulfonylbenzene?
1-(5-chloro-2-methoxyphenyl)-2-fluoro-4-(4-fluorophenyl)sulfonylbenzene has a molecular weight of 394.83 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-fluoro-4-(4-fluorophenyl)sulfonylbenzene is sourced from PubChem (CID 67240864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).