8-chloro-6-fluoro-2H-chromene-3-sulfonyl chloride

C9H5Cl2FO3S — CID 47003568

IUPAC8-chloro-6-fluoro-2H-chromene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=Cc2cc(F)cc(Cl)c2OC1
InChIInChI=1S/C9H5Cl2FO3S/c10-8-3-6(12)1-5-2-7(16(11,13)14)4-15-9(5)8/h1-3H,4H2
InChIKeyKBTCXSNMKJPBEY-UHFFFAOYSA-N
MW283.11 g/mol
LogP2.78
Rot. Bonds1

About 8-chloro-6-fluoro-2H-chromene-3-sulfonyl chloride

8-chloro-6-fluoro-2H-chromene-3-sulfonyl chloride (PubChem CID 47003568) has the molecular formula C9H5Cl2FO3S and a molecular weight of 283.11 g/mol. Its IUPAC name is 8-chloro-6-fluoro-2H-chromene-3-sulfonyl chloride.

Molecular Properties

Compound Name8-chloro-6-fluoro-2H-chromene-3-sulfonyl chloride
PubChem CID47003568
Molecular FormulaC9H5Cl2FO3S
Molecular Weight283.11 g/mol
Exact Mass281.93
IUPAC Name8-chloro-6-fluoro-2H-chromene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=Cc2cc(F)cc(Cl)c2OC1
InChIInChI=1S/C9H5Cl2FO3S/c10-8-3-6(12)1-5-2-7(16(11,13)14)4-15-9(5)8/h1-3H,4H2
InChIKeyKBTCXSNMKJPBEY-UHFFFAOYSA-N
XLogP2.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-fluoro-2H-chromene-3-sulfonyl chloride?
The IUPAC name of 8-chloro-6-fluoro-2H-chromene-3-sulfonyl chloride (CID 47003568) is 8-chloro-6-fluoro-2H-chromene-3-sulfonyl chloride.
What is the SMILES notation for 8-chloro-6-fluoro-2H-chromene-3-sulfonyl chloride?
The canonical SMILES for 8-chloro-6-fluoro-2H-chromene-3-sulfonyl chloride is O=S(=O)(Cl)C1=Cc2cc(F)cc(Cl)c2OC1.
What is the InChIKey of 8-chloro-6-fluoro-2H-chromene-3-sulfonyl chloride?
The InChIKey is KBTCXSNMKJPBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2FO3S/c10-8-3-6(12)1-5-2-7(16(11,13)14)4-15-9(5)8/h1-3H,4H2.
What are the key properties of 8-chloro-6-fluoro-2H-chromene-3-sulfonyl chloride?
8-chloro-6-fluoro-2H-chromene-3-sulfonyl chloride has a molecular weight of 283.11 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-fluoro-2H-chromene-3-sulfonyl chloride is sourced from PubChem (CID 47003568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).