4-bromonaphthalene-1-sulfonyl chloride

C10H6BrClO2S — CID 2757076

IUPAC4-bromonaphthalene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)c2ccccc12
InChIInChI=1S/C10H6BrClO2S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H
InChIKeyMNBFYZPSEJKTFA-UHFFFAOYSA-N
MW305.58 g/mol
LogP3.53
Rot. Bonds1

About 4-bromonaphthalene-1-sulfonyl chloride

4-bromonaphthalene-1-sulfonyl chloride (PubChem CID 2757076) has the molecular formula C10H6BrClO2S and a molecular weight of 305.58 g/mol. Its IUPAC name is 4-bromonaphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name4-bromonaphthalene-1-sulfonyl chloride
PubChem CID2757076
Molecular FormulaC10H6BrClO2S
Molecular Weight305.58 g/mol
Exact Mass303.90
IUPAC Name4-bromonaphthalene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)c2ccccc12
InChIInChI=1S/C10H6BrClO2S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H
InChIKeyMNBFYZPSEJKTFA-UHFFFAOYSA-N
XLogP3.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.58
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromonaphthalene-1-sulfonyl chloride?
The IUPAC name of 4-bromonaphthalene-1-sulfonyl chloride (CID 2757076) is 4-bromonaphthalene-1-sulfonyl chloride.
What is the SMILES notation for 4-bromonaphthalene-1-sulfonyl chloride?
The canonical SMILES for 4-bromonaphthalene-1-sulfonyl chloride is O=S(=O)(Cl)c1ccc(Br)c2ccccc12.
What is the InChIKey of 4-bromonaphthalene-1-sulfonyl chloride?
The InChIKey is MNBFYZPSEJKTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClO2S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H.
What are the key properties of 4-bromonaphthalene-1-sulfonyl chloride?
4-bromonaphthalene-1-sulfonyl chloride has a molecular weight of 305.58 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromonaphthalene-1-sulfonyl chloride is sourced from PubChem (CID 2757076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).