6-chloro-3-(3-fluorophenyl)sulfonyl-2H-chromene

C15H10ClFO3S — CID 135272124

IUPAC6-chloro-3-(3-fluorophenyl)sulfonyl-2H-chromene
SMILESO=S(=O)(C1=Cc2cc(Cl)ccc2OC1)c1cccc(F)c1
InChIInChI=1S/C15H10ClFO3S/c16-11-4-5-15-10(6-11)7-14(9-20-15)21(18,19)13-3-1-2-12(17)8-13/h1-8H,9H2
InChIKeyYSJNPUDWLKXBCN-UHFFFAOYSA-N
MW324.76 g/mol
LogP3.69
Rot. Bonds2

About 6-chloro-3-(3-fluorophenyl)sulfonyl-2H-chromene

6-chloro-3-(3-fluorophenyl)sulfonyl-2H-chromene (PubChem CID 135272124) has the molecular formula C15H10ClFO3S and a molecular weight of 324.76 g/mol. Its IUPAC name is 6-chloro-3-(3-fluorophenyl)sulfonyl-2H-chromene.

Molecular Properties

Compound Name6-chloro-3-(3-fluorophenyl)sulfonyl-2H-chromene
PubChem CID135272124
Molecular FormulaC15H10ClFO3S
Molecular Weight324.76 g/mol
Exact Mass324.00
IUPAC Name6-chloro-3-(3-fluorophenyl)sulfonyl-2H-chromene
SMILESO=S(=O)(C1=Cc2cc(Cl)ccc2OC1)c1cccc(F)c1
InChIInChI=1S/C15H10ClFO3S/c16-11-4-5-15-10(6-11)7-14(9-20-15)21(18,19)13-3-1-2-12(17)8-13/h1-8H,9H2
InChIKeyYSJNPUDWLKXBCN-UHFFFAOYSA-N
XLogP3.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-fluorophenyl)sulfonyl-2H-chromene?
The IUPAC name of 6-chloro-3-(3-fluorophenyl)sulfonyl-2H-chromene (CID 135272124) is 6-chloro-3-(3-fluorophenyl)sulfonyl-2H-chromene.
What is the SMILES notation for 6-chloro-3-(3-fluorophenyl)sulfonyl-2H-chromene?
The canonical SMILES for 6-chloro-3-(3-fluorophenyl)sulfonyl-2H-chromene is O=S(=O)(C1=Cc2cc(Cl)ccc2OC1)c1cccc(F)c1.
What is the InChIKey of 6-chloro-3-(3-fluorophenyl)sulfonyl-2H-chromene?
The InChIKey is YSJNPUDWLKXBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFO3S/c16-11-4-5-15-10(6-11)7-14(9-20-15)21(18,19)13-3-1-2-12(17)8-13/h1-8H,9H2.
What are the key properties of 6-chloro-3-(3-fluorophenyl)sulfonyl-2H-chromene?
6-chloro-3-(3-fluorophenyl)sulfonyl-2H-chromene has a molecular weight of 324.76 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-fluorophenyl)sulfonyl-2H-chromene is sourced from PubChem (CID 135272124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).