4-(2-propoxyethoxy)benzenesulfonyl chloride

C11H15ClO4S — CID 87522161

IUPAC4-(2-propoxyethoxy)benzenesulfonyl chloride
SMILESCCCOCCOc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H15ClO4S/c1-2-7-15-8-9-16-10-3-5-11(6-4-10)17(12,13)14/h3-6H,2,7-9H2,1H3
InChIKeyIWMOHLQQSGSURT-UHFFFAOYSA-N
MW278.76 g/mol
LogP2.42
Rot. Bonds7

About 4-(2-propoxyethoxy)benzenesulfonyl chloride

4-(2-propoxyethoxy)benzenesulfonyl chloride (PubChem CID 87522161) has the molecular formula C11H15ClO4S and a molecular weight of 278.76 g/mol. Its IUPAC name is 4-(2-propoxyethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2-propoxyethoxy)benzenesulfonyl chloride
PubChem CID87522161
Molecular FormulaC11H15ClO4S
Molecular Weight278.76 g/mol
Exact Mass278.04
IUPAC Name4-(2-propoxyethoxy)benzenesulfonyl chloride
SMILESCCCOCCOc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H15ClO4S/c1-2-7-15-8-9-16-10-3-5-11(6-4-10)17(12,13)14/h3-6H,2,7-9H2,1H3
InChIKeyIWMOHLQQSGSURT-UHFFFAOYSA-N
XLogP2.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-propoxyethoxy)benzenesulfonyl 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

3-chloro-4-(2-propoxyethoxy)benzenesulfonyl chloride
CID 106450996
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
4-[3-(2-methylpropoxy)propoxy]benzenesulfonyl chloride
CID 90949891
dioxido-[4-(2-propoxyethoxy)phenoxy]borane
CID 86756814
4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid
CID 20595012
3-butan-2-yl-4-(2-propoxyethoxy)benzenesulfonyl chloride
CID 106451030
4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride
CID 98644091
4-[3-(dimethylamino)propoxy]benzenesulfonyl chloride;hydrochloride
CID 87727140
4-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]benzenesulfonate
CID 20595015
2-chloro-4-(2-propoxyethoxy)pyridine
CID 63778475
6-pentoxynaphthalene-2-sulfonyl chloride
CID 25158139
(4-propoxyphenyl)methanesulfonyl chloride
CID 114996230

Frequently Asked Questions

What is the IUPAC name of 4-(2-propoxyethoxy)benzenesulfonyl chloride?
The IUPAC name of 4-(2-propoxyethoxy)benzenesulfonyl chloride (CID 87522161) is 4-(2-propoxyethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-(2-propoxyethoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-(2-propoxyethoxy)benzenesulfonyl chloride is CCCOCCOc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-(2-propoxyethoxy)benzenesulfonyl chloride?
The InChIKey is IWMOHLQQSGSURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO4S/c1-2-7-15-8-9-16-10-3-5-11(6-4-10)17(12,13)14/h3-6H,2,7-9H2,1H3.
What are the key properties of 4-(2-propoxyethoxy)benzenesulfonyl chloride?
4-(2-propoxyethoxy)benzenesulfonyl chloride has a molecular weight of 278.76 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propoxyethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 87522161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).