2-chloro-3-cyano-6-hydroxybenzenesulfonyl chloride

C7H3Cl2NO3S — CID 130952334

IUPAC2-chloro-3-cyano-6-hydroxybenzenesulfonyl chloride
SMILESN#Cc1ccc(O)c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C7H3Cl2NO3S/c8-6-4(3-10)1-2-5(11)7(6)14(9,12)13/h1-2,11H
InChIKeyMGHOKROJZRDBLG-UHFFFAOYSA-N
MW252.08 g/mol
LogP1.84
Rot. Bonds1

About 2-chloro-3-cyano-6-hydroxybenzenesulfonyl chloride

2-chloro-3-cyano-6-hydroxybenzenesulfonyl chloride (PubChem CID 130952334) has the molecular formula C7H3Cl2NO3S and a molecular weight of 252.08 g/mol. Its IUPAC name is 2-chloro-3-cyano-6-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-3-cyano-6-hydroxybenzenesulfonyl chloride
PubChem CID130952334
Molecular FormulaC7H3Cl2NO3S
Molecular Weight252.08 g/mol
Exact Mass250.92
IUPAC Name2-chloro-3-cyano-6-hydroxybenzenesulfonyl chloride
SMILESN#Cc1ccc(O)c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C7H3Cl2NO3S/c8-6-4(3-10)1-2-5(11)7(6)14(9,12)13/h1-2,11H
InChIKeyMGHOKROJZRDBLG-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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Related Compounds

2-Chloro-5-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride
CID 84806057
3-Cyano-2-fluoro-6-hydroxybenzenesulfonyl chloride
CID 130952522
2-(2-Chloro-4-hydroxy-3-sulfanylphenyl)acetonitrile
CID 154115128
5-Cyano-2-hydroxybenzenesulfonyl chloride
CID 55279015
2-Chloro-6-hydroxy-3-methylbenzenesulfonyl chloride
CID 84800756
4-Chloro-3-cyano-2-hydroxybenzene-1-sulfonyl chloride
CID 118799842
2-Chloro-3-cyano-5-hydroxybenzene-1-sulfonyl chloride
CID 119020085
4-Chloro-5-cyano-2-hydroxybenzenesulfonyl chloride
CID 130971496
2-Chloro-3-cyano-4-hydroxybenzenesulfonyl chloride
CID 131057758

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-cyano-6-hydroxybenzenesulfonyl chloride?
The IUPAC name of 2-chloro-3-cyano-6-hydroxybenzenesulfonyl chloride (CID 130952334) is 2-chloro-3-cyano-6-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-3-cyano-6-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 2-chloro-3-cyano-6-hydroxybenzenesulfonyl chloride is N#Cc1ccc(O)c(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 2-chloro-3-cyano-6-hydroxybenzenesulfonyl chloride?
The InChIKey is MGHOKROJZRDBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2NO3S/c8-6-4(3-10)1-2-5(11)7(6)14(9,12)13/h1-2,11H.
What are the key properties of 2-chloro-3-cyano-6-hydroxybenzenesulfonyl chloride?
2-chloro-3-cyano-6-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-3-cyano-6-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 130952334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).