4-bromo-5-fluoronaphthalene-1-sulfonyl chloride

C10H5BrClFO2S — CID 90017308

IUPAC4-bromo-5-fluoronaphthalene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)c2c(F)cccc12
InChIInChI=1S/C10H5BrClFO2S/c11-7-4-5-9(16(12,14)15)6-2-1-3-8(13)10(6)7/h1-5H
InChIKeyOFQHETOTGSAZQC-UHFFFAOYSA-N
MW323.57 g/mol
LogP3.67
Rot. Bonds1

About 4-bromo-5-fluoronaphthalene-1-sulfonyl chloride

4-bromo-5-fluoronaphthalene-1-sulfonyl chloride (PubChem CID 90017308) has the molecular formula C10H5BrClFO2S and a molecular weight of 323.57 g/mol. Its IUPAC name is 4-bromo-5-fluoronaphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name4-bromo-5-fluoronaphthalene-1-sulfonyl chloride
PubChem CID90017308
Molecular FormulaC10H5BrClFO2S
Molecular Weight323.57 g/mol
Exact Mass321.89
IUPAC Name4-bromo-5-fluoronaphthalene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)c2c(F)cccc12
InChIInChI=1S/C10H5BrClFO2S/c11-7-4-5-9(16(12,14)15)6-2-1-3-8(13)10(6)7/h1-5H
InChIKeyOFQHETOTGSAZQC-UHFFFAOYSA-N
XLogP3.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.57
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoronaphthalene-1-sulfonyl chloride?
The IUPAC name of 4-bromo-5-fluoronaphthalene-1-sulfonyl chloride (CID 90017308) is 4-bromo-5-fluoronaphthalene-1-sulfonyl chloride.
What is the SMILES notation for 4-bromo-5-fluoronaphthalene-1-sulfonyl chloride?
The canonical SMILES for 4-bromo-5-fluoronaphthalene-1-sulfonyl chloride is O=S(=O)(Cl)c1ccc(Br)c2c(F)cccc12.
What is the InChIKey of 4-bromo-5-fluoronaphthalene-1-sulfonyl chloride?
The InChIKey is OFQHETOTGSAZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClFO2S/c11-7-4-5-9(16(12,14)15)6-2-1-3-8(13)10(6)7/h1-5H.
What are the key properties of 4-bromo-5-fluoronaphthalene-1-sulfonyl chloride?
4-bromo-5-fluoronaphthalene-1-sulfonyl chloride has a molecular weight of 323.57 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoronaphthalene-1-sulfonyl chloride is sourced from PubChem (CID 90017308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).