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

C16H15ClF2O4S — CID 143513714

IUPAC4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dihydro-2H-chromene;methanol
SMILESCO.O=S(=O)(c1ccc(Cl)cc1)C1CCOc2c(F)ccc(F)c21
InChIInChI=1S/C15H11ClF2O3S.CH4O/c16-9-1-3-10(4-2-9)22(19,20)13-7-8-21-15-12(18)6-5-11(17)14(13)15;1-2/h1-6,13H,7-8H2;2H,1H3
InChIKeyFNVNEDXDQDPUPF-UHFFFAOYSA-N
MW376.81 g/mol
LogP3.52
Rot. Bonds2

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

4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dihydro-2H-chromene;methanol (PubChem CID 143513714) has the molecular formula C16H15ClF2O4S and a molecular weight of 376.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dihydro-2H-chromene;methanol.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dihydro-2H-chromene;methanol
PubChem CID143513714
Molecular FormulaC16H15ClF2O4S
Molecular Weight376.81 g/mol
Exact Mass376.03
IUPAC Name4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dihydro-2H-chromene;methanol
SMILESCO.O=S(=O)(c1ccc(Cl)cc1)C1CCOc2c(F)ccc(F)c21
InChIInChI=1S/C15H11ClF2O3S.CH4O/c16-9-1-3-10(4-2-9)22(19,20)13-7-8-21-15-12(18)6-5-11(17)14(13)15;1-2/h1-6,13H,7-8H2;2H,1H3
InChIKeyFNVNEDXDQDPUPF-UHFFFAOYSA-N
XLogP3.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.81
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)sulfonyl-1,4-difluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 24875988
(3R,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-amine
CID 58950481
(3R,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-methoxy-3,4-dihydro-2H-chromene
CID 58950151
1-(4-chlorophenyl)sulfonyl-4,7-difluoro-3-methyl-2,3-dihydro-1H-indene
CID 24875987
5,8-difluoro-4-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-chromene
CID 143514151
1-[4-(4-chlorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-chromen-8-yl]piperazine
CID 11211934
5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 102990727
(4R)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 130501634
5,8-difluoro-3,4-dihydro-2H-chromen-4-amine
CID 59704967
5-(4-chlorophenyl)sulfonyl-1,4-difluoro-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 24875993
(3S,4R)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3-hex-5-enyl-3,4-dihydro-2H-chromene
CID 143513986
(4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55275271

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dihydro-2H-chromene;methanol?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dihydro-2H-chromene;methanol (CID 143513714) is 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dihydro-2H-chromene;methanol.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dihydro-2H-chromene;methanol?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dihydro-2H-chromene;methanol is CO.O=S(=O)(c1ccc(Cl)cc1)C1CCOc2c(F)ccc(F)c21.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dihydro-2H-chromene;methanol?
The InChIKey is FNVNEDXDQDPUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O3S.CH4O/c16-9-1-3-10(4-2-9)22(19,20)13-7-8-21-15-12(18)6-5-11(17)14(13)15;1-2/h1-6,13H,7-8H2;2H,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dihydro-2H-chromene;methanol?
4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dihydro-2H-chromene;methanol has a molecular weight of 376.81 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dihydro-2H-chromene;methanol is sourced from PubChem (CID 143513714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).