4-(benzenesulfonyl)-1-(5-chloro-2-methoxyphenyl)-2-fluorobenzene

C19H14ClFO3S — CID 67241540

IUPAC4-(benzenesulfonyl)-1-(5-chloro-2-methoxyphenyl)-2-fluorobenzene
SMILESCOc1ccc(Cl)cc1-c1ccc(S(=O)(=O)c2ccccc2)cc1F
InChIInChI=1S/C19H14ClFO3S/c1-24-19-10-7-13(20)11-17(19)16-9-8-15(12-18(16)21)25(22,23)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyBTBIXXNEJKYYDT-UHFFFAOYSA-N
MW376.84 g/mol
LogP4.99
Rot. Bonds4

About 4-(benzenesulfonyl)-1-(5-chloro-2-methoxyphenyl)-2-fluorobenzene

4-(benzenesulfonyl)-1-(5-chloro-2-methoxyphenyl)-2-fluorobenzene (PubChem CID 67241540) has the molecular formula C19H14ClFO3S and a molecular weight of 376.84 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1-(5-chloro-2-methoxyphenyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-(benzenesulfonyl)-1-(5-chloro-2-methoxyphenyl)-2-fluorobenzene
PubChem CID67241540
Molecular FormulaC19H14ClFO3S
Molecular Weight376.84 g/mol
Exact Mass376.03
IUPAC Name4-(benzenesulfonyl)-1-(5-chloro-2-methoxyphenyl)-2-fluorobenzene
SMILESCOc1ccc(Cl)cc1-c1ccc(S(=O)(=O)c2ccccc2)cc1F
InChIInChI=1S/C19H14ClFO3S/c1-24-19-10-7-13(20)11-17(19)16-9-8-15(12-18(16)21)25(22,23)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyBTBIXXNEJKYYDT-UHFFFAOYSA-N
XLogP4.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.99
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
[3-Chloro-4-[2-(fluoromethoxy)phenyl]phenyl]-imino-methyl-oxo-lambda6-sulfane
CID 168269374

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-1-(5-chloro-2-methoxyphenyl)-2-fluorobenzene?
The IUPAC name of 4-(benzenesulfonyl)-1-(5-chloro-2-methoxyphenyl)-2-fluorobenzene (CID 67241540) is 4-(benzenesulfonyl)-1-(5-chloro-2-methoxyphenyl)-2-fluorobenzene.
What is the SMILES notation for 4-(benzenesulfonyl)-1-(5-chloro-2-methoxyphenyl)-2-fluorobenzene?
The canonical SMILES for 4-(benzenesulfonyl)-1-(5-chloro-2-methoxyphenyl)-2-fluorobenzene is COc1ccc(Cl)cc1-c1ccc(S(=O)(=O)c2ccccc2)cc1F.
What is the InChIKey of 4-(benzenesulfonyl)-1-(5-chloro-2-methoxyphenyl)-2-fluorobenzene?
The InChIKey is BTBIXXNEJKYYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFO3S/c1-24-19-10-7-13(20)11-17(19)16-9-8-15(12-18(16)21)25(22,23)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of 4-(benzenesulfonyl)-1-(5-chloro-2-methoxyphenyl)-2-fluorobenzene?
4-(benzenesulfonyl)-1-(5-chloro-2-methoxyphenyl)-2-fluorobenzene has a molecular weight of 376.84 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-1-(5-chloro-2-methoxyphenyl)-2-fluorobenzene is sourced from PubChem (CID 67241540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).