1-(5-chloro-2-methoxyphenyl)-2-fluoro-3-(4-fluorophenyl)sulfonylbenzene

C19H13ClF2O3S — CID 68641775

IUPAC1-(5-chloro-2-methoxyphenyl)-2-fluoro-3-(4-fluorophenyl)sulfonylbenzene
SMILESCOc1ccc(Cl)cc1-c1cccc(S(=O)(=O)c2ccc(F)cc2)c1F
InChIInChI=1S/C19H13ClF2O3S/c1-25-17-10-5-12(20)11-16(17)15-3-2-4-18(19(15)22)26(23,24)14-8-6-13(21)7-9-14/h2-11H,1H3
InChIKeyXVSJUOSDMCRFBZ-UHFFFAOYSA-N
MW394.83 g/mol
LogP5.13
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-2-fluoro-3-(4-fluorophenyl)sulfonylbenzene

1-(5-chloro-2-methoxyphenyl)-2-fluoro-3-(4-fluorophenyl)sulfonylbenzene (PubChem CID 68641775) 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-3-(4-fluorophenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-fluoro-3-(4-fluorophenyl)sulfonylbenzene
PubChem CID68641775
Molecular FormulaC19H13ClF2O3S
Molecular Weight394.83 g/mol
Exact Mass394.02
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-fluoro-3-(4-fluorophenyl)sulfonylbenzene
SMILESCOc1ccc(Cl)cc1-c1cccc(S(=O)(=O)c2ccc(F)cc2)c1F
InChIInChI=1S/C19H13ClF2O3S/c1-25-17-10-5-12(20)11-16(17)15-3-2-4-18(19(15)22)26(23,24)14-8-6-13(21)7-9-14/h2-11H,1H3
InChIKeyXVSJUOSDMCRFBZ-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

Analyze 1-(5-chloro-2-methoxyphenyl)-2-fluoro-3-(4-fluorophenyl)sulfonylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(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
6-Chloro-3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one
CID 7246267
9-(benzenesulfonyl)-2-chloro-9H-xanthene
CID 3677839
3-(3-Chloro-4-fluorophenyl)-2-(4-methylsulfonylphenyl)chromene-4-thione
CID 18324977

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-fluoro-3-(4-fluorophenyl)sulfonylbenzene?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-fluoro-3-(4-fluorophenyl)sulfonylbenzene (CID 68641775) is 1-(5-chloro-2-methoxyphenyl)-2-fluoro-3-(4-fluorophenyl)sulfonylbenzene.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-fluoro-3-(4-fluorophenyl)sulfonylbenzene?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-fluoro-3-(4-fluorophenyl)sulfonylbenzene is COc1ccc(Cl)cc1-c1cccc(S(=O)(=O)c2ccc(F)cc2)c1F.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-fluoro-3-(4-fluorophenyl)sulfonylbenzene?
The InChIKey is XVSJUOSDMCRFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2O3S/c1-25-17-10-5-12(20)11-16(17)15-3-2-4-18(19(15)22)26(23,24)14-8-6-13(21)7-9-14/h2-11H,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-fluoro-3-(4-fluorophenyl)sulfonylbenzene?
1-(5-chloro-2-methoxyphenyl)-2-fluoro-3-(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-3-(4-fluorophenyl)sulfonylbenzene is sourced from PubChem (CID 68641775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).