4-bromo-2-cyano-5-hydroxybenzenesulfonyl chloride

C7H3BrClNO3S — CID 118845241

IUPAC4-bromo-2-cyano-5-hydroxybenzenesulfonyl chloride
SMILESN#Cc1cc(Br)c(O)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H3BrClNO3S/c8-5-1-4(3-10)7(2-6(5)11)14(9,12)13/h1-2,11H
InChIKeyYPYPCYXWRMVBHF-UHFFFAOYSA-N
MW296.53 g/mol
LogP1.95
Rot. Bonds1

About 4-bromo-2-cyano-5-hydroxybenzenesulfonyl chloride

4-bromo-2-cyano-5-hydroxybenzenesulfonyl chloride (PubChem CID 118845241) has the molecular formula C7H3BrClNO3S and a molecular weight of 296.53 g/mol. Its IUPAC name is 4-bromo-2-cyano-5-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-2-cyano-5-hydroxybenzenesulfonyl chloride
PubChem CID118845241
Molecular FormulaC7H3BrClNO3S
Molecular Weight296.53 g/mol
Exact Mass294.87
IUPAC Name4-bromo-2-cyano-5-hydroxybenzenesulfonyl chloride
SMILESN#Cc1cc(Br)c(O)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H3BrClNO3S/c8-5-1-4(3-10)7(2-6(5)11)14(9,12)13/h1-2,11H
InChIKeyYPYPCYXWRMVBHF-UHFFFAOYSA-N
XLogP1.95
TPSA78.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyano-5-hydroxybenzenesulfonyl chloride?
The IUPAC name of 4-bromo-2-cyano-5-hydroxybenzenesulfonyl chloride (CID 118845241) is 4-bromo-2-cyano-5-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-2-cyano-5-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 4-bromo-2-cyano-5-hydroxybenzenesulfonyl chloride is N#Cc1cc(Br)c(O)cc1S(=O)(=O)Cl.
What is the InChIKey of 4-bromo-2-cyano-5-hydroxybenzenesulfonyl chloride?
The InChIKey is YPYPCYXWRMVBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClNO3S/c8-5-1-4(3-10)7(2-6(5)11)14(9,12)13/h1-2,11H.
What are the key properties of 4-bromo-2-cyano-5-hydroxybenzenesulfonyl chloride?
4-bromo-2-cyano-5-hydroxybenzenesulfonyl chloride has a molecular weight of 296.53 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyano-5-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 118845241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).