1-chloro-2,3,5,6-tetrafluoro-4-(3-fluoro-4-methoxyphenyl)sulfonylbenzene

C13H6ClF5O3S — CID 54521867

IUPAC1-chloro-2,3,5,6-tetrafluoro-4-(3-fluoro-4-methoxyphenyl)sulfonylbenzene
SMILESCOc1ccc(S(=O)(=O)c2c(F)c(F)c(Cl)c(F)c2F)cc1F
InChIInChI=1S/C13H6ClF5O3S/c1-22-7-3-2-5(4-6(7)15)23(20,21)13-11(18)9(16)8(14)10(17)12(13)19/h2-4H,1H3
InChIKeyYQJKJBOCHFOKIB-UHFFFAOYSA-N
MW372.70 g/mol
LogP3.88
Rot. Bonds3

About 1-chloro-2,3,5,6-tetrafluoro-4-(3-fluoro-4-methoxyphenyl)sulfonylbenzene

1-chloro-2,3,5,6-tetrafluoro-4-(3-fluoro-4-methoxyphenyl)sulfonylbenzene (PubChem CID 54521867) has the molecular formula C13H6ClF5O3S and a molecular weight of 372.70 g/mol. Its IUPAC name is 1-chloro-2,3,5,6-tetrafluoro-4-(3-fluoro-4-methoxyphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-chloro-2,3,5,6-tetrafluoro-4-(3-fluoro-4-methoxyphenyl)sulfonylbenzene
PubChem CID54521867
Molecular FormulaC13H6ClF5O3S
Molecular Weight372.70 g/mol
Exact Mass371.96
IUPAC Name1-chloro-2,3,5,6-tetrafluoro-4-(3-fluoro-4-methoxyphenyl)sulfonylbenzene
SMILESCOc1ccc(S(=O)(=O)c2c(F)c(F)c(Cl)c(F)c2F)cc1F
InChIInChI=1S/C13H6ClF5O3S/c1-22-7-3-2-5(4-6(7)15)23(20,21)13-11(18)9(16)8(14)10(17)12(13)19/h2-4H,1H3
InChIKeyYQJKJBOCHFOKIB-UHFFFAOYSA-N
XLogP3.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.70
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-(2,3,4,5,6-pentafluorophenyl)sulfonylphenol
CID 54499987
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
3-fluoro-4-methoxybenzenesulfonic acid;hydrochloride
CID 174836017
3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 112811750
4-(2-chloroethylsulfonyl)-2-fluoro-1-methoxybenzene
CID 82049547
N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274
N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604461
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
4-(2,6-dichloro-4-fluorophenyl)sulfonyl-2-methoxyphenol
CID 143476460
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 102976123
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3,5,6-tetrafluoro-4-(3-fluoro-4-methoxyphenyl)sulfonylbenzene?
The IUPAC name of 1-chloro-2,3,5,6-tetrafluoro-4-(3-fluoro-4-methoxyphenyl)sulfonylbenzene (CID 54521867) is 1-chloro-2,3,5,6-tetrafluoro-4-(3-fluoro-4-methoxyphenyl)sulfonylbenzene.
What is the SMILES notation for 1-chloro-2,3,5,6-tetrafluoro-4-(3-fluoro-4-methoxyphenyl)sulfonylbenzene?
The canonical SMILES for 1-chloro-2,3,5,6-tetrafluoro-4-(3-fluoro-4-methoxyphenyl)sulfonylbenzene is COc1ccc(S(=O)(=O)c2c(F)c(F)c(Cl)c(F)c2F)cc1F.
What is the InChIKey of 1-chloro-2,3,5,6-tetrafluoro-4-(3-fluoro-4-methoxyphenyl)sulfonylbenzene?
The InChIKey is YQJKJBOCHFOKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF5O3S/c1-22-7-3-2-5(4-6(7)15)23(20,21)13-11(18)9(16)8(14)10(17)12(13)19/h2-4H,1H3.
What are the key properties of 1-chloro-2,3,5,6-tetrafluoro-4-(3-fluoro-4-methoxyphenyl)sulfonylbenzene?
1-chloro-2,3,5,6-tetrafluoro-4-(3-fluoro-4-methoxyphenyl)sulfonylbenzene has a molecular weight of 372.70 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3,5,6-tetrafluoro-4-(3-fluoro-4-methoxyphenyl)sulfonylbenzene is sourced from PubChem (CID 54521867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).