2-cyano-5-ethoxybenzenesulfonyl chloride

C9H8ClNO3S — CID 71318479

IUPAC2-cyano-5-ethoxybenzenesulfonyl chloride
SMILESCCOc1ccc(C#N)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H8ClNO3S/c1-2-14-8-4-3-7(6-11)9(5-8)15(10,12)13/h3-5H,2H2,1H3
InChIKeyDHZUWUXRHGHLSQ-UHFFFAOYSA-N
MW245.69 g/mol
LogP1.88
Rot. Bonds3

About 2-cyano-5-ethoxybenzenesulfonyl chloride

2-cyano-5-ethoxybenzenesulfonyl chloride (PubChem CID 71318479) has the molecular formula C9H8ClNO3S and a molecular weight of 245.69 g/mol. Its IUPAC name is 2-cyano-5-ethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2-cyano-5-ethoxybenzenesulfonyl chloride
PubChem CID71318479
Molecular FormulaC9H8ClNO3S
Molecular Weight245.69 g/mol
Exact Mass244.99
IUPAC Name2-cyano-5-ethoxybenzenesulfonyl chloride
SMILESCCOc1ccc(C#N)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H8ClNO3S/c1-2-14-8-4-3-7(6-11)9(5-8)15(10,12)13/h3-5H,2H2,1H3
InChIKeyDHZUWUXRHGHLSQ-UHFFFAOYSA-N
XLogP1.88
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyano-5-ethoxybenzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-3-ethoxybenzenesulfonyl chloride
CID 55280879
4-ethoxy-2-nitrobenzenesulfonyl chloride
CID 12514471
4-cyano-2-ethoxybenzenesulfonyl chloride
CID 151954691
2-(1-chloro-2-oxopropyl)-4-ethoxybenzonitrile
CID 131325053
3-cyano-4-ethoxybenzenesulfonyl chloride;2-ethoxybenzonitrile
CID 158306651
4-ethoxy-2-propan-2-yloxybenzonitrile
CID 22721205
2-(2,2-dimethylbutoxy)-4-ethoxybenzonitrile
CID 170603623
2-cyano-4-ethyl-5-sulfanylbenzenesulfonyl chloride
CID 131489136
2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 72711592
4-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride
CID 118822348
2-ethoxy-4-methylsulfonylbenzonitrile
CID 59169927
4-(4-ethoxyanilino)benzene-1,2-dicarbonitrile
CID 139772534

Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-ethoxybenzenesulfonyl chloride?
The IUPAC name of 2-cyano-5-ethoxybenzenesulfonyl chloride (CID 71318479) is 2-cyano-5-ethoxybenzenesulfonyl chloride.
What is the SMILES notation for 2-cyano-5-ethoxybenzenesulfonyl chloride?
The canonical SMILES for 2-cyano-5-ethoxybenzenesulfonyl chloride is CCOc1ccc(C#N)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-cyano-5-ethoxybenzenesulfonyl chloride?
The InChIKey is DHZUWUXRHGHLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3S/c1-2-14-8-4-3-7(6-11)9(5-8)15(10,12)13/h3-5H,2H2,1H3.
What are the key properties of 2-cyano-5-ethoxybenzenesulfonyl chloride?
2-cyano-5-ethoxybenzenesulfonyl chloride has a molecular weight of 245.69 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-ethoxybenzenesulfonyl chloride is sourced from PubChem (CID 71318479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).