2-cyano-6-hydroxybenzenesulfonyl chloride

C7H4ClNO3S — CID 55280805

IUPAC2-cyano-6-hydroxybenzenesulfonyl chloride
SMILESN#Cc1cccc(O)c1S(=O)(=O)Cl
InChIInChI=1S/C7H4ClNO3S/c8-13(11,12)7-5(4-9)2-1-3-6(7)10/h1-3,10H
InChIKeyNKZAYDKCXPNLII-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.19
Rot. Bonds1

About 2-cyano-6-hydroxybenzenesulfonyl chloride

2-cyano-6-hydroxybenzenesulfonyl chloride (PubChem CID 55280805) has the molecular formula C7H4ClNO3S and a molecular weight of 217.63 g/mol. Its IUPAC name is 2-cyano-6-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2-cyano-6-hydroxybenzenesulfonyl chloride
PubChem CID55280805
Molecular FormulaC7H4ClNO3S
Molecular Weight217.63 g/mol
Exact Mass216.96
IUPAC Name2-cyano-6-hydroxybenzenesulfonyl chloride
SMILESN#Cc1cccc(O)c1S(=O)(=O)Cl
InChIInChI=1S/C7H4ClNO3S/c8-13(11,12)7-5(4-9)2-1-3-6(7)10/h1-3,10H
InChIKeyNKZAYDKCXPNLII-UHFFFAOYSA-N
XLogP1.19
TPSA78.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-6-hydroxybenzenesulfonyl chloride?
The IUPAC name of 2-cyano-6-hydroxybenzenesulfonyl chloride (CID 55280805) is 2-cyano-6-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 2-cyano-6-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 2-cyano-6-hydroxybenzenesulfonyl chloride is N#Cc1cccc(O)c1S(=O)(=O)Cl.
What is the InChIKey of 2-cyano-6-hydroxybenzenesulfonyl chloride?
The InChIKey is NKZAYDKCXPNLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO3S/c8-13(11,12)7-5(4-9)2-1-3-6(7)10/h1-3,10H.
What are the key properties of 2-cyano-6-hydroxybenzenesulfonyl chloride?
2-cyano-6-hydroxybenzenesulfonyl chloride has a molecular weight of 217.63 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-6-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 55280805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).