7-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-2H-chromene

C16H15FO3S — CID 143248179

IUPAC7-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-2H-chromene
SMILESCC1CCOc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C16H15FO3S/c1-11-7-8-20-16-10-14(5-6-15(11)16)21(18,19)13-4-2-3-12(17)9-13/h2-6,9-11H,7-8H2,1H3
InChIKeyOPFBJCCQOBPYKP-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.54
Rot. Bonds2

About 7-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-2H-chromene

7-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-2H-chromene (PubChem CID 143248179) has the molecular formula C16H15FO3S and a molecular weight of 306.36 g/mol. Its IUPAC name is 7-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-2H-chromene
PubChem CID143248179
Molecular FormulaC16H15FO3S
Molecular Weight306.36 g/mol
Exact Mass306.07
IUPAC Name7-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-2H-chromene
SMILESCC1CCOc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C16H15FO3S/c1-11-7-8-20-16-10-14(5-6-15(11)16)21(18,19)13-4-2-3-12(17)9-13/h2-6,9-11H,7-8H2,1H3
InChIKeyOPFBJCCQOBPYKP-UHFFFAOYSA-N
XLogP3.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene
CID 146026050
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
(4S,4aS,10bS)-7,10-difluoro-4-(2-methylsulfonylethyl)-10b-[4-(trifluoromethyl)phenyl]sulfonyl-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromene
CID 25138385
(4S,4aS,10bS)-10b-(3,4-difluorophenyl)sulfonyl-7,10-difluoro-4-(2-methylsulfonylethyl)-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromene
CID 25165410
(6aR,7S,10aS)-1,4-difluoro-7-(2-methylsulfonylethyl)-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromene
CID 25165995
(4S,4aS,10bS)-7,10-difluoro-10b-(4-methoxyphenyl)sulfonyl-4-(2-methylsulfonylethyl)-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromene
CID 25166800
(3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methyl-3,4-dihydro-2H-chromene
CID 46884829
(4S,4aS,10bS)-10b-(3,5-difluorophenyl)sulfonyl-7,10-difluoro-4-(2-methylsulfonylethyl)-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromene
CID 58445369
3-Ethyl-phenoxathiine 10,10-dioxide
CID 10587420
4-Ethyl-phenoxathiine 10,10-dioxide
CID 10730054
4-Methyl-phenoxathiine 10,10-dioxide
CID 44307520

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 7-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-2H-chromene (CID 143248179) is 7-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 7-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-2H-chromene is CC1CCOc2cc(S(=O)(=O)c3cccc(F)c3)ccc21.
What is the InChIKey of 7-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-2H-chromene?
The InChIKey is OPFBJCCQOBPYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3S/c1-11-7-8-20-16-10-14(5-6-15(11)16)21(18,19)13-4-2-3-12(17)9-13/h2-6,9-11H,7-8H2,1H3.
What are the key properties of 7-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-2H-chromene?
7-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-2H-chromene has a molecular weight of 306.36 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 143248179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).