2-[4-(3-chlorophenyl)sulfonyl-2-fluorophenyl]-4-fluoro-1-methoxybenzene

C19H13ClF2O3S — CID 67239305

IUPAC2-[4-(3-chlorophenyl)sulfonyl-2-fluorophenyl]-4-fluoro-1-methoxybenzene
SMILESCOc1ccc(F)cc1-c1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1F
InChIInChI=1S/C19H13ClF2O3S/c1-25-19-8-5-13(21)10-17(19)16-7-6-15(11-18(16)22)26(23,24)14-4-2-3-12(20)9-14/h2-11H,1H3
InChIKeyDPSXEGSCNSBDHF-UHFFFAOYSA-N
MW394.83 g/mol
LogP5.13
Rot. Bonds4

About 2-[4-(3-chlorophenyl)sulfonyl-2-fluorophenyl]-4-fluoro-1-methoxybenzene

2-[4-(3-chlorophenyl)sulfonyl-2-fluorophenyl]-4-fluoro-1-methoxybenzene (PubChem CID 67239305) has the molecular formula C19H13ClF2O3S and a molecular weight of 394.83 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)sulfonyl-2-fluorophenyl]-4-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)sulfonyl-2-fluorophenyl]-4-fluoro-1-methoxybenzene
PubChem CID67239305
Molecular FormulaC19H13ClF2O3S
Molecular Weight394.83 g/mol
Exact Mass394.02
IUPAC Name2-[4-(3-chlorophenyl)sulfonyl-2-fluorophenyl]-4-fluoro-1-methoxybenzene
SMILESCOc1ccc(F)cc1-c1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1F
InChIInChI=1S/C19H13ClF2O3S/c1-25-19-8-5-13(21)10-17(19)16-7-6-15(11-18(16)22)26(23,24)14-4-2-3-12(20)9-14/h2-11H,1H3
InChIKeyDPSXEGSCNSBDHF-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

1,2-Difluoro-4-(3-fluoro-4-methoxyphenyl)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10548520
1-(3-Chloro-4-methoxyphenyl)-4,5-difluoro-2-[4-(methylsulfonyl)phenyl]benzene
CID 10716420
2-[1-(4-Chlorophenyl)sulfonyl-4-[(2-methoxyphenyl)sulfonylmethyl]cyclohexyl]-1,4-difluorobenzene
CID 25263470
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
(6aR,10aS)-10a-(4-chlorophenyl)sulfonyl-1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromene
CID 24876170
(3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene
CID 46884829
1,2-Difluoro-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)benzene
CID 44394200
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)sulfonyl-2-fluorophenyl]-4-fluoro-1-methoxybenzene?
The IUPAC name of 2-[4-(3-chlorophenyl)sulfonyl-2-fluorophenyl]-4-fluoro-1-methoxybenzene (CID 67239305) is 2-[4-(3-chlorophenyl)sulfonyl-2-fluorophenyl]-4-fluoro-1-methoxybenzene.
What is the SMILES notation for 2-[4-(3-chlorophenyl)sulfonyl-2-fluorophenyl]-4-fluoro-1-methoxybenzene?
The canonical SMILES for 2-[4-(3-chlorophenyl)sulfonyl-2-fluorophenyl]-4-fluoro-1-methoxybenzene is COc1ccc(F)cc1-c1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1F.
What is the InChIKey of 2-[4-(3-chlorophenyl)sulfonyl-2-fluorophenyl]-4-fluoro-1-methoxybenzene?
The InChIKey is DPSXEGSCNSBDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2O3S/c1-25-19-8-5-13(21)10-17(19)16-7-6-15(11-18(16)22)26(23,24)14-4-2-3-12(20)9-14/h2-11H,1H3.
What are the key properties of 2-[4-(3-chlorophenyl)sulfonyl-2-fluorophenyl]-4-fluoro-1-methoxybenzene?
2-[4-(3-chlorophenyl)sulfonyl-2-fluorophenyl]-4-fluoro-1-methoxybenzene 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 2-[4-(3-chlorophenyl)sulfonyl-2-fluorophenyl]-4-fluoro-1-methoxybenzene is sourced from PubChem (CID 67239305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).