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

C17H15ClF2O3S — CID 24875802

IUPAC(4R)-4-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-3,4-dihydro-2H-chromene
SMILESCCC1C[C@@H](S(=O)(=O)c2ccc(Cl)cc2)c2c(F)ccc(F)c2O1
InChIInChI=1S/C17H15ClF2O3S/c1-2-11-9-15(16-13(19)7-8-14(20)17(16)23-11)24(21,22)12-5-3-10(18)4-6-12/h3-8,11,15H,2,9H2,1H3/t11?,15-/m1/s1
InChIKeyMGLXBBGGXVNXJS-JOPIAHFSSA-N
MW372.82 g/mol
LogP4.69
Rot. Bonds3

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

(4R)-4-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-3,4-dihydro-2H-chromene (PubChem CID 24875802) has the molecular formula C17H15ClF2O3S and a molecular weight of 372.82 g/mol. Its IUPAC name is (4R)-4-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(4R)-4-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-3,4-dihydro-2H-chromene
PubChem CID24875802
Molecular FormulaC17H15ClF2O3S
Molecular Weight372.82 g/mol
Exact Mass372.04
IUPAC Name(4R)-4-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-3,4-dihydro-2H-chromene
SMILESCCC1C[C@@H](S(=O)(=O)c2ccc(Cl)cc2)c2c(F)ccc(F)c2O1
InChIInChI=1S/C17H15ClF2O3S/c1-2-11-9-15(16-13(19)7-8-14(20)17(16)23-11)24(21,22)12-5-3-10(18)4-6-12/h3-8,11,15H,2,9H2,1H3/t11?,15-/m1/s1
InChIKeyMGLXBBGGXVNXJS-JOPIAHFSSA-N
XLogP4.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 54.69
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 (4R)-4-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-3,4-dihydro-2H-chromene?
The IUPAC name of (4R)-4-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-3,4-dihydro-2H-chromene (CID 24875802) is (4R)-4-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-3,4-dihydro-2H-chromene.
What is the SMILES notation for (4R)-4-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-3,4-dihydro-2H-chromene?
The canonical SMILES for (4R)-4-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-3,4-dihydro-2H-chromene is CCC1C[C@@H](S(=O)(=O)c2ccc(Cl)cc2)c2c(F)ccc(F)c2O1.
What is the InChIKey of (4R)-4-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-3,4-dihydro-2H-chromene?
The InChIKey is MGLXBBGGXVNXJS-JOPIAHFSSA-N. The full InChI is InChI=1S/C17H15ClF2O3S/c1-2-11-9-15(16-13(19)7-8-14(20)17(16)23-11)24(21,22)12-5-3-10(18)4-6-12/h3-8,11,15H,2,9H2,1H3/t11?,15-/m1/s1.
What are the key properties of (4R)-4-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-3,4-dihydro-2H-chromene?
(4R)-4-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-3,4-dihydro-2H-chromene has a molecular weight of 372.82 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-chlorophenyl)sulfonyl-2-ethyl-5,8-difluoro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 24875802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).