2-cyano-6-hydroxy-4-methylbenzenesulfonyl chloride

C8H6ClNO3S — CID 130970166

IUPAC2-cyano-6-hydroxy-4-methylbenzenesulfonyl chloride
SMILESCc1cc(O)c(S(=O)(=O)Cl)c(C#N)c1
InChIInChI=1S/C8H6ClNO3S/c1-5-2-6(4-10)8(7(11)3-5)14(9,12)13/h2-3,11H,1H3
InChIKeyFJOYHYRXZINEBD-UHFFFAOYSA-N
MW231.66 g/mol
LogP1.50
Rot. Bonds1

About 2-cyano-6-hydroxy-4-methylbenzenesulfonyl chloride

2-cyano-6-hydroxy-4-methylbenzenesulfonyl chloride (PubChem CID 130970166) has the molecular formula C8H6ClNO3S and a molecular weight of 231.66 g/mol. Its IUPAC name is 2-cyano-6-hydroxy-4-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-cyano-6-hydroxy-4-methylbenzenesulfonyl chloride
PubChem CID130970166
Molecular FormulaC8H6ClNO3S
Molecular Weight231.66 g/mol
Exact Mass230.98
IUPAC Name2-cyano-6-hydroxy-4-methylbenzenesulfonyl chloride
SMILESCc1cc(O)c(S(=O)(=O)Cl)c(C#N)c1
InChIInChI=1S/C8H6ClNO3S/c1-5-2-6(4-10)8(7(11)3-5)14(9,12)13/h2-3,11H,1H3
InChIKeyFJOYHYRXZINEBD-UHFFFAOYSA-N
XLogP1.50
TPSA78.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.66
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-6-hydroxybenzenesulfonyl chloride
CID 55280805
2-bromo-3-cyano-5-methylbenzenesulfonyl chloride
CID 130951262
2-cyano-4-ethyl-6-methylbenzenesulfonyl chloride
CID 131405476
2-cyano-6-methyl-4-nitrobenzenesulfonyl chloride
CID 131531177
3-cyano-5-hydroxy-2-methylbenzenesulfonyl chloride
CID 130779296
3-amino-2-hydroxy-5-methylbenzonitrile
CID 171018045
methyl 2-cyano-6-hydroxy-4-methylbenzoate
CID 130822835
4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride
CID 131631575
3-cyano-6-methyl-2-sulfanylbenzenesulfonyl chloride
CID 130778134
4-bromo-2-cyano-5-hydroxybenzenesulfonyl chloride
CID 118845241
2-cyano-6-ethyl-4-formylbenzenesulfonyl chloride
CID 131610546
4-(bromomethyl)-2-cyano-6-ethylbenzenesulfonyl chloride
CID 131437687

Frequently Asked Questions

What is the IUPAC name of 2-cyano-6-hydroxy-4-methylbenzenesulfonyl chloride?
The IUPAC name of 2-cyano-6-hydroxy-4-methylbenzenesulfonyl chloride (CID 130970166) is 2-cyano-6-hydroxy-4-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-cyano-6-hydroxy-4-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-cyano-6-hydroxy-4-methylbenzenesulfonyl chloride is Cc1cc(O)c(S(=O)(=O)Cl)c(C#N)c1.
What is the InChIKey of 2-cyano-6-hydroxy-4-methylbenzenesulfonyl chloride?
The InChIKey is FJOYHYRXZINEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO3S/c1-5-2-6(4-10)8(7(11)3-5)14(9,12)13/h2-3,11H,1H3.
What are the key properties of 2-cyano-6-hydroxy-4-methylbenzenesulfonyl chloride?
2-cyano-6-hydroxy-4-methylbenzenesulfonyl chloride has a molecular weight of 231.66 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-6-hydroxy-4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 130970166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).