2-chloro-4-cyano-5-hydroxybenzenesulfonyl chloride

C7H3Cl2NO3S — CID 130775480

IUPAC2-chloro-4-cyano-5-hydroxybenzenesulfonyl chloride
SMILESN#Cc1cc(Cl)c(S(=O)(=O)Cl)cc1O
InChIInChI=1S/C7H3Cl2NO3S/c8-5-1-4(3-10)6(11)2-7(5)14(9,12)13/h1-2,11H
InChIKeyIGGZRUZWAKNQAM-UHFFFAOYSA-N
MW252.08 g/mol
LogP1.84
Rot. Bonds1

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

2-chloro-4-cyano-5-hydroxybenzenesulfonyl chloride (PubChem CID 130775480) has the molecular formula C7H3Cl2NO3S and a molecular weight of 252.08 g/mol. Its IUPAC name is 2-chloro-4-cyano-5-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-4-cyano-5-hydroxybenzenesulfonyl chloride
PubChem CID130775480
Molecular FormulaC7H3Cl2NO3S
Molecular Weight252.08 g/mol
Exact Mass250.92
IUPAC Name2-chloro-4-cyano-5-hydroxybenzenesulfonyl chloride
SMILESN#Cc1cc(Cl)c(S(=O)(=O)Cl)cc1O
InChIInChI=1S/C7H3Cl2NO3S/c8-5-1-4(3-10)6(11)2-7(5)14(9,12)13/h1-2,11H
InChIKeyIGGZRUZWAKNQAM-UHFFFAOYSA-N
XLogP1.84
TPSA78.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.08
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-5-hydroxybenzenesulfonyl chloride?
The IUPAC name of 2-chloro-4-cyano-5-hydroxybenzenesulfonyl chloride (CID 130775480) is 2-chloro-4-cyano-5-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-4-cyano-5-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 2-chloro-4-cyano-5-hydroxybenzenesulfonyl chloride is N#Cc1cc(Cl)c(S(=O)(=O)Cl)cc1O.
What is the InChIKey of 2-chloro-4-cyano-5-hydroxybenzenesulfonyl chloride?
The InChIKey is IGGZRUZWAKNQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2NO3S/c8-5-1-4(3-10)6(11)2-7(5)14(9,12)13/h1-2,11H.
What are the key properties of 2-chloro-4-cyano-5-hydroxybenzenesulfonyl chloride?
2-chloro-4-cyano-5-hydroxybenzenesulfonyl chloride has a molecular weight of 252.08 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-5-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 130775480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).