4-bromoisoquinoline-5-sulfonyl chloride

C9H5BrClNO2S — CID 14580058

IUPAC4-bromoisoquinoline-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2cncc(Br)c12
InChIInChI=1S/C9H5BrClNO2S/c10-7-5-12-4-6-2-1-3-8(9(6)7)15(11,13)14/h1-5H
InChIKeyDETHFQYKUHNJRY-UHFFFAOYSA-N
MW306.57 g/mol
LogP2.92
Rot. Bonds1

About 4-bromoisoquinoline-5-sulfonyl chloride

4-bromoisoquinoline-5-sulfonyl chloride (PubChem CID 14580058) has the molecular formula C9H5BrClNO2S and a molecular weight of 306.57 g/mol. Its IUPAC name is 4-bromoisoquinoline-5-sulfonyl chloride.

Molecular Properties

Compound Name4-bromoisoquinoline-5-sulfonyl chloride
PubChem CID14580058
Molecular FormulaC9H5BrClNO2S
Molecular Weight306.57 g/mol
Exact Mass304.89
IUPAC Name4-bromoisoquinoline-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2cncc(Br)c12
InChIInChI=1S/C9H5BrClNO2S/c10-7-5-12-4-6-2-1-3-8(9(6)7)15(11,13)14/h1-5H
InChIKeyDETHFQYKUHNJRY-UHFFFAOYSA-N
XLogP2.92
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.57
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromoisoquinoline-5-sulfonyl chloride?
The IUPAC name of 4-bromoisoquinoline-5-sulfonyl chloride (CID 14580058) is 4-bromoisoquinoline-5-sulfonyl chloride.
What is the SMILES notation for 4-bromoisoquinoline-5-sulfonyl chloride?
The canonical SMILES for 4-bromoisoquinoline-5-sulfonyl chloride is O=S(=O)(Cl)c1cccc2cncc(Br)c12.
What is the InChIKey of 4-bromoisoquinoline-5-sulfonyl chloride?
The InChIKey is DETHFQYKUHNJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNO2S/c10-7-5-12-4-6-2-1-3-8(9(6)7)15(11,13)14/h1-5H.
What are the key properties of 4-bromoisoquinoline-5-sulfonyl chloride?
4-bromoisoquinoline-5-sulfonyl chloride has a molecular weight of 306.57 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromoisoquinoline-5-sulfonyl chloride is sourced from PubChem (CID 14580058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).