3-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol

C15H13ClO4S — CID 106585053

IUPAC3-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol
SMILESO=S(=O)(c1cccc(Cl)c1)C1COc2ccccc2C1O
InChIInChI=1S/C15H13ClO4S/c16-10-4-3-5-11(8-10)21(18,19)14-9-20-13-7-2-1-6-12(13)15(14)17/h1-8,14-15,17H,9H2
InChIKeyYCHKSDRQBQAYDR-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.61
Rot. Bonds2

About 3-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol

3-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 106585053) has the molecular formula C15H13ClO4S and a molecular weight of 324.79 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID106585053
Molecular FormulaC15H13ClO4S
Molecular Weight324.79 g/mol
Exact Mass324.02
IUPAC Name3-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol
SMILESO=S(=O)(c1cccc(Cl)c1)C1COc2ccccc2C1O
InChIInChI=1S/C15H13ClO4S/c16-10-4-3-5-11(8-10)21(18,19)14-9-20-13-7-2-1-6-12(13)15(14)17/h1-8,14-15,17H,9H2
InChIKeyYCHKSDRQBQAYDR-UHFFFAOYSA-N
XLogP2.61
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol (CID 106585053) is 3-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol is O=S(=O)(c1cccc(Cl)c1)C1COc2ccccc2C1O.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is YCHKSDRQBQAYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4S/c16-10-4-3-5-11(8-10)21(18,19)14-9-20-13-7-2-1-6-12(13)15(14)17/h1-8,14-15,17H,9H2.
What are the key properties of 3-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol?
3-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 324.79 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 106585053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).