4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-prop-2-enyl-2,3-dihydrochromene

C18H15ClF2O3S — CID 24875620

IUPAC4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-prop-2-enyl-2,3-dihydrochromene
SMILESC=CCC1(S(=O)(=O)c2ccc(Cl)cc2)CCOc2c(F)ccc(F)c21
InChIInChI=1S/C18H15ClF2O3S/c1-2-9-18(25(22,23)13-5-3-12(19)4-6-13)10-11-24-17-15(21)8-7-14(20)16(17)18/h2-8H,1,9-11H2
InChIKeyMJVDDBQRLLSNBS-UHFFFAOYSA-N
MW384.83 g/mol
LogP4.65
Rot. Bonds4

About 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-prop-2-enyl-2,3-dihydrochromene

4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-prop-2-enyl-2,3-dihydrochromene (PubChem CID 24875620) has the molecular formula C18H15ClF2O3S and a molecular weight of 384.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-prop-2-enyl-2,3-dihydrochromene.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-prop-2-enyl-2,3-dihydrochromene
PubChem CID24875620
Molecular FormulaC18H15ClF2O3S
Molecular Weight384.83 g/mol
Exact Mass384.04
IUPAC Name4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-prop-2-enyl-2,3-dihydrochromene
SMILESC=CCC1(S(=O)(=O)c2ccc(Cl)cc2)CCOc2c(F)ccc(F)c21
InChIInChI=1S/C18H15ClF2O3S/c1-2-9-18(25(22,23)13-5-3-12(19)4-6-13)10-11-24-17-15(21)8-7-14(20)16(17)18/h2-8H,1,9-11H2
InChIKeyMJVDDBQRLLSNBS-UHFFFAOYSA-N
XLogP4.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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
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-4-prop-2-enyl-2,3-dihydrochromene?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-prop-2-enyl-2,3-dihydrochromene (CID 24875620) is 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-prop-2-enyl-2,3-dihydrochromene.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-prop-2-enyl-2,3-dihydrochromene?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-prop-2-enyl-2,3-dihydrochromene is C=CCC1(S(=O)(=O)c2ccc(Cl)cc2)CCOc2c(F)ccc(F)c21.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-prop-2-enyl-2,3-dihydrochromene?
The InChIKey is MJVDDBQRLLSNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2O3S/c1-2-9-18(25(22,23)13-5-3-12(19)4-6-13)10-11-24-17-15(21)8-7-14(20)16(17)18/h2-8H,1,9-11H2.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-prop-2-enyl-2,3-dihydrochromene?
4-(4-chlorophenyl)sulfonyl-5,8-difluoro-4-prop-2-enyl-2,3-dihydrochromene has a molecular weight of 384.83 g/mol, XLogP of 4.65, 4 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-4-prop-2-enyl-2,3-dihydrochromene is sourced from PubChem (CID 24875620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).