4-(4-chlorophenyl)sulfonyl-5,6,8-trifluoro-3,4-dihydro-2H-chromene

C15H10ClF3O3S — CID 24876253

IUPAC4-(4-chlorophenyl)sulfonyl-5,6,8-trifluoro-3,4-dihydro-2H-chromene
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CCOc2c(F)cc(F)c(F)c21
InChIInChI=1S/C15H10ClF3O3S/c16-8-1-3-9(4-2-8)23(20,21)12-5-6-22-15-11(18)7-10(17)14(19)13(12)15/h1-4,7,12H,5-6H2
InChIKeyUDZSXCCGUCQOKN-UHFFFAOYSA-N
MW362.76 g/mol
LogP4.05
Rot. Bonds2

About 4-(4-chlorophenyl)sulfonyl-5,6,8-trifluoro-3,4-dihydro-2H-chromene

4-(4-chlorophenyl)sulfonyl-5,6,8-trifluoro-3,4-dihydro-2H-chromene (PubChem CID 24876253) has the molecular formula C15H10ClF3O3S and a molecular weight of 362.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-5,6,8-trifluoro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-5,6,8-trifluoro-3,4-dihydro-2H-chromene
PubChem CID24876253
Molecular FormulaC15H10ClF3O3S
Molecular Weight362.76 g/mol
Exact Mass362.00
IUPAC Name4-(4-chlorophenyl)sulfonyl-5,6,8-trifluoro-3,4-dihydro-2H-chromene
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CCOc2c(F)cc(F)c(F)c21
InChIInChI=1S/C15H10ClF3O3S/c16-8-1-3-9(4-2-8)23(20,21)12-5-6-22-15-11(18)7-10(17)14(19)13(12)15/h1-4,7,12H,5-6H2
InChIKeyUDZSXCCGUCQOKN-UHFFFAOYSA-N
XLogP4.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.76
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Sch-900229
CID 25164607
2-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethylsulfonyl]ethanol
CID 25165014
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
(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-4-[2-(trifluoromethylsulfonyl)ethyl]-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromene
CID 25164608
(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-4-(2-ethylsulfonylethyl)-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromene
CID 25164609
CID 25164810
CID 25164810
(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-4-(2-propylsulfonylethyl)-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromene
CID 25164811
(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-4-(2-propan-2-ylsulfonylethyl)-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromene
CID 25164812
[(3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]methanol
CID 46884828
(3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene
CID 46884829

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-5,6,8-trifluoro-3,4-dihydro-2H-chromene?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-5,6,8-trifluoro-3,4-dihydro-2H-chromene (CID 24876253) is 4-(4-chlorophenyl)sulfonyl-5,6,8-trifluoro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-5,6,8-trifluoro-3,4-dihydro-2H-chromene?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-5,6,8-trifluoro-3,4-dihydro-2H-chromene is O=S(=O)(c1ccc(Cl)cc1)C1CCOc2c(F)cc(F)c(F)c21.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-5,6,8-trifluoro-3,4-dihydro-2H-chromene?
The InChIKey is UDZSXCCGUCQOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O3S/c16-8-1-3-9(4-2-8)23(20,21)12-5-6-22-15-11(18)7-10(17)14(19)13(12)15/h1-4,7,12H,5-6H2.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-5,6,8-trifluoro-3,4-dihydro-2H-chromene?
4-(4-chlorophenyl)sulfonyl-5,6,8-trifluoro-3,4-dihydro-2H-chromene has a molecular weight of 362.76 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-5,6,8-trifluoro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 24876253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).