5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride

C9H8ClNO3S — CID 131631570

IUPAC5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride
SMILESCCc1cc(C#N)cc(S(=O)(=O)Cl)c1O
InChIInChI=1S/C9H8ClNO3S/c1-2-7-3-6(5-11)4-8(9(7)12)15(10,13)14/h3-4,12H,2H2,1H3
InChIKeyPUPBUOAEBPKUJD-UHFFFAOYSA-N
MW245.69 g/mol
LogP1.75
Rot. Bonds2

About 5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride

5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride (PubChem CID 131631570) has the molecular formula C9H8ClNO3S and a molecular weight of 245.69 g/mol. Its IUPAC name is 5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride
PubChem CID131631570
Molecular FormulaC9H8ClNO3S
Molecular Weight245.69 g/mol
Exact Mass244.99
IUPAC Name5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride
SMILESCCc1cc(C#N)cc(S(=O)(=O)Cl)c1O
InChIInChI=1S/C9H8ClNO3S/c1-2-7-3-6(5-11)4-8(9(7)12)15(10,13)14/h3-4,12H,2H2,1H3
InChIKeyPUPBUOAEBPKUJD-UHFFFAOYSA-N
XLogP1.75
TPSA78.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diethyl-4-hydroxybenzonitrile
CID 21017
5-bromo-3-ethyl-2-hydroxybenzenesulfonyl chloride
CID 155598143
2-cyano-4-ethyl-3-hydroxybenzenesulfonyl chloride
CID 131619507
5-cyano-2-(difluoromethoxy)-3-ethylbenzenesulfonyl chloride
CID 131269960
2-bromo-4-cyano-6-ethylbenzenesulfonyl chloride
CID 131404058
4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride
CID 131631575
2-chloro-5-cyano-3-fluorobenzenesulfonyl chloride
CID 130882205
5-cyano-3-iodo-2-methylbenzenesulfonyl chloride
CID 130836807
4-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride
CID 118822348
5-chloro-2-cyano-3-ethylbenzenesulfonyl chloride
CID 131607001
5-cyano-4-(difluoromethyl)-2-ethylbenzenesulfonyl chloride
CID 131468276
2-cyano-4-ethyl-5-sulfanylbenzenesulfonyl chloride
CID 131489136

Frequently Asked Questions

What is the IUPAC name of 5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride?
The IUPAC name of 5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride (CID 131631570) is 5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride is CCc1cc(C#N)cc(S(=O)(=O)Cl)c1O.
What is the InChIKey of 5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride?
The InChIKey is PUPBUOAEBPKUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3S/c1-2-7-3-6(5-11)4-8(9(7)12)15(10,13)14/h3-4,12H,2H2,1H3.
What are the key properties of 5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride?
5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride has a molecular weight of 245.69 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 131631570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).