5-chloro-2-nonoxybenzenesulfonyl chloride

C15H22Cl2O3S — CID 63495663

IUPAC5-chloro-2-nonoxybenzenesulfonyl chloride
SMILESCCCCCCCCCOc1ccc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C15H22Cl2O3S/c1-2-3-4-5-6-7-8-11-20-14-10-9-13(16)12-15(14)21(17,18)19/h9-10,12H,2-8,11H2,1H3
InChIKeyRIHMUOODUVWVHA-UHFFFAOYSA-N
MW353.31 g/mol
LogP5.40
Rot. Bonds10

About 5-chloro-2-nonoxybenzenesulfonyl chloride

5-chloro-2-nonoxybenzenesulfonyl chloride (PubChem CID 63495663) has the molecular formula C15H22Cl2O3S and a molecular weight of 353.31 g/mol. Its IUPAC name is 5-chloro-2-nonoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-nonoxybenzenesulfonyl chloride
PubChem CID63495663
Molecular FormulaC15H22Cl2O3S
Molecular Weight353.31 g/mol
Exact Mass352.07
IUPAC Name5-chloro-2-nonoxybenzenesulfonyl chloride
SMILESCCCCCCCCCOc1ccc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C15H22Cl2O3S/c1-2-3-4-5-6-7-8-11-20-14-10-9-13(16)12-15(14)21(17,18)19/h9-10,12H,2-8,11H2,1H3
InChIKeyRIHMUOODUVWVHA-UHFFFAOYSA-N
XLogP5.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.31
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride
CID 104647311
2-heptoxy-5-methylbenzenesulfonyl chloride
CID 43129113
5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
CID 62104796
5-fluoro-2-pentoxybenzenesulfonyl chloride
CID 62104235
3-chlorosulfonyl-4-heptoxybenzoic acid
CID 43327834
2-butoxy-5-chlorobenzenesulfonamide
CID 62103523
2-pentoxybenzenesulfonyl chloride
CID 87516954
2-octoxy-5-(2,3,4-trimethylpentan-2-yl)benzenesulfonyl chloride
CID 86184522
5-chloro-2-decoxyaniline
CID 55187694
4-heptoxy-2,5-dimethylbenzenesulfonyl chloride
CID 43247011
2,5-dimethyl-4-octoxybenzenesulfonyl chloride
CID 43134384
5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide
CID 65180427

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-nonoxybenzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-nonoxybenzenesulfonyl chloride (CID 63495663) is 5-chloro-2-nonoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-nonoxybenzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-nonoxybenzenesulfonyl chloride is CCCCCCCCCOc1ccc(Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-2-nonoxybenzenesulfonyl chloride?
The InChIKey is RIHMUOODUVWVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2O3S/c1-2-3-4-5-6-7-8-11-20-14-10-9-13(16)12-15(14)21(17,18)19/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 5-chloro-2-nonoxybenzenesulfonyl chloride?
5-chloro-2-nonoxybenzenesulfonyl chloride has a molecular weight of 353.31 g/mol, XLogP of 5.40, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-nonoxybenzenesulfonyl chloride is sourced from PubChem (CID 63495663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).