4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2-methyl-3,4-dihydro-2H-chromene

C16H13ClF2O3S — CID 24875896

IUPAC4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2-methyl-3,4-dihydro-2H-chromene
SMILESCC1CC(S(=O)(=O)c2ccc(Cl)cc2)c2c(F)ccc(F)c2O1
InChIInChI=1S/C16H13ClF2O3S/c1-9-8-14(15-12(18)6-7-13(19)16(15)22-9)23(20,21)11-4-2-10(17)3-5-11/h2-7,9,14H,8H2,1H3
InChIKeyZBODWJVUXPLDOG-UHFFFAOYSA-N
MW358.79 g/mol
LogP4.30
Rot. Bonds2

About 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2-methyl-3,4-dihydro-2H-chromene

4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2-methyl-3,4-dihydro-2H-chromene (PubChem CID 24875896) has the molecular formula C16H13ClF2O3S and a molecular weight of 358.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2-methyl-3,4-dihydro-2H-chromene
PubChem CID24875896
Molecular FormulaC16H13ClF2O3S
Molecular Weight358.79 g/mol
Exact Mass358.02
IUPAC Name4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2-methyl-3,4-dihydro-2H-chromene
SMILESCC1CC(S(=O)(=O)c2ccc(Cl)cc2)c2c(F)ccc(F)c2O1
InChIInChI=1S/C16H13ClF2O3S/c1-9-8-14(15-12(18)6-7-13(19)16(15)22-9)23(20,21)11-4-2-10(17)3-5-11/h2-7,9,14H,8H2,1H3
InChIKeyZBODWJVUXPLDOG-UHFFFAOYSA-N
XLogP4.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
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]ethanamine
CID 66563037
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2-methyl-3,4-dihydro-2H-chromene (CID 24875896) is 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2-methyl-3,4-dihydro-2H-chromene is CC1CC(S(=O)(=O)c2ccc(Cl)cc2)c2c(F)ccc(F)c2O1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2-methyl-3,4-dihydro-2H-chromene?
The InChIKey is ZBODWJVUXPLDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2O3S/c1-9-8-14(15-12(18)6-7-13(19)16(15)22-9)23(20,21)11-4-2-10(17)3-5-11/h2-7,9,14H,8H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2-methyl-3,4-dihydro-2H-chromene?
4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2-methyl-3,4-dihydro-2H-chromene has a molecular weight of 358.79 g/mol, XLogP of 4.30, 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-5,8-difluoro-2-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 24875896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).