1-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)sulfonyl-2-methylbenzene

C20H16ClFO3S — CID 67240287

IUPAC1-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)sulfonyl-2-methylbenzene
SMILESCOc1ccc(Cl)cc1-c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C20H16ClFO3S/c1-13-11-17(26(23,24)16-6-4-15(22)5-7-16)8-9-18(13)19-12-14(21)3-10-20(19)25-2/h3-12H,1-2H3
InChIKeyMATIXYPBVYVPJO-UHFFFAOYSA-N
MW390.86 g/mol
LogP5.30
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)sulfonyl-2-methylbenzene

1-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)sulfonyl-2-methylbenzene (PubChem CID 67240287) has the molecular formula C20H16ClFO3S and a molecular weight of 390.86 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)sulfonyl-2-methylbenzene.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)sulfonyl-2-methylbenzene
PubChem CID67240287
Molecular FormulaC20H16ClFO3S
Molecular Weight390.86 g/mol
Exact Mass390.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)sulfonyl-2-methylbenzene
SMILESCOc1ccc(Cl)cc1-c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C20H16ClFO3S/c1-13-11-17(26(23,24)16-6-4-15(22)5-7-16)8-9-18(13)19-12-14(21)3-10-20(19)25-2/h3-12H,1-2H3
InChIKeyMATIXYPBVYVPJO-UHFFFAOYSA-N
XLogP5.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.86
LogP ≤ 55.30
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
3-(3-Chloro-4-methoxyphenyl)-1,2-difluoro-4-(4-methylsulfonylphenyl)benzene
CID 44394275
2-Chloro-1-methoxy-4-[2-[4-(methylsulfonyl)phenyl]phenyl]benzene
CID 10667040
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
1-(4-Fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene
CID 102218720
2-[4-Chloro-2-[4-(4-fluorophenyl)sulfonyl-2-methylphenyl]phenoxy]acetic acid
CID 16123728
3-(3-Chloro-4-fluorophenyl)-2-(4-methylsulfonylphenyl)chromene-4-thione
CID 18324977
2-[1-(4-Chlorophenyl)sulfonyl-3-(4-methoxyphenyl)propyl]-1,4-difluorobenzene
CID 23028719
1-(4-Chloro-3-methoxyphenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene
CID 23451029
4-(4-Chlorophenyl)sulfonyl-4-ethyl-5-fluoro-2,3-dihydrochromene
CID 24876256

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)sulfonyl-2-methylbenzene?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)sulfonyl-2-methylbenzene (CID 67240287) is 1-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)sulfonyl-2-methylbenzene.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)sulfonyl-2-methylbenzene?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)sulfonyl-2-methylbenzene is COc1ccc(Cl)cc1-c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)sulfonyl-2-methylbenzene?
The InChIKey is MATIXYPBVYVPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFO3S/c1-13-11-17(26(23,24)16-6-4-15(22)5-7-16)8-9-18(13)19-12-14(21)3-10-20(19)25-2/h3-12H,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)sulfonyl-2-methylbenzene?
1-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)sulfonyl-2-methylbenzene has a molecular weight of 390.86 g/mol, XLogP of 5.30, 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)-4-(4-fluorophenyl)sulfonyl-2-methylbenzene is sourced from PubChem (CID 67240287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).