4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)thiane

C17H15ClF2O2S2 — CID 59750738

IUPAC4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)thiane
SMILESO=S(=O)(c1ccc(Cl)cc1)C1(c2cc(F)ccc2F)CCSCC1
InChIInChI=1S/C17H15ClF2O2S2/c18-12-1-4-14(5-2-12)24(21,22)17(7-9-23-10-8-17)15-11-13(19)3-6-16(15)20/h1-6,11H,7-10H2
InChIKeyPRGNFMZWRZUQEQ-UHFFFAOYSA-N
MW388.89 g/mol
LogP4.81
Rot. Bonds3

About 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)thiane

4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)thiane (PubChem CID 59750738) has the molecular formula C17H15ClF2O2S2 and a molecular weight of 388.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)thiane.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)thiane
PubChem CID59750738
Molecular FormulaC17H15ClF2O2S2
Molecular Weight388.89 g/mol
Exact Mass388.02
IUPAC Name4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)thiane
SMILESO=S(=O)(c1ccc(Cl)cc1)C1(c2cc(F)ccc2F)CCSCC1
InChIInChI=1S/C17H15ClF2O2S2/c18-12-1-4-14(5-2-12)24(21,22)17(7-9-23-10-8-17)15-11-13(19)3-6-16(15)20/h1-6,11H,7-10H2
InChIKeyPRGNFMZWRZUQEQ-UHFFFAOYSA-N
XLogP4.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.89
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexane-1-carbonitrile
CID 23590944
tert-butyl 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine-1-carboxylate
CID 59750843
[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl] propanoate
CID 69414787
trans-(1S,3R)-3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)cyclohexane-1-carbaldehyde
CID 58770267
N-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)cyclobutylidene]-1,1,1-trifluoromethanesulfonamide
CID 143883254
3-bromo-N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]thiophene-2-sulfonamide
CID 20781244
2-[[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]sulfamoyl]acetamide
CID 22485770
methyl (E)-3-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]prop-2-enoate
CID 59016468
2-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]-N-[(Z)-N-hydroxy-C-methylcarbonimidoyl]acetamide
CID 135617807
4-[(1S,3R)-3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)cyclohexyl]butan-2-one
CID 168752658
5-chloro-2-[1-(2,5-difluorophenyl)cycloheptyl]sulfonylpyridine
CID 23028837
N-[4-(2,5-difluorophenyl)-4-(4-isocyanophenyl)sulfonylcyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 20781255

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)thiane?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)thiane (CID 59750738) is 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)thiane.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)thiane?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)thiane is O=S(=O)(c1ccc(Cl)cc1)C1(c2cc(F)ccc2F)CCSCC1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)thiane?
The InChIKey is PRGNFMZWRZUQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2O2S2/c18-12-1-4-14(5-2-12)24(21,22)17(7-9-23-10-8-17)15-11-13(19)3-6-16(15)20/h1-6,11H,7-10H2.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)thiane?
4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)thiane has a molecular weight of 388.89 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)thiane is sourced from PubChem (CID 59750738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).