4-pentoxybenzenesulfonyl chloride

C11H15ClO3S — CID 3794965

IUPAC4-pentoxybenzenesulfonyl chloride
SMILESCCCCCOc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H15ClO3S/c1-2-3-4-9-15-10-5-7-11(8-6-10)16(12,13)14/h5-8H,2-4,9H2,1H3
InChIKeyWPNBAZJJEQNSOH-UHFFFAOYSA-N
MW262.76 g/mol
LogP3.18
Rot. Bonds6

About 4-pentoxybenzenesulfonyl chloride

4-pentoxybenzenesulfonyl chloride (PubChem CID 3794965) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 4-pentoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-pentoxybenzenesulfonyl chloride
PubChem CID3794965
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name4-pentoxybenzenesulfonyl chloride
SMILESCCCCCOc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H15ClO3S/c1-2-3-4-9-15-10-5-7-11(8-6-10)16(12,13)14/h5-8H,2-4,9H2,1H3
InChIKeyWPNBAZJJEQNSOH-UHFFFAOYSA-N
XLogP3.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 53.18
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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Frequently Asked Questions

What is the IUPAC name of 4-pentoxybenzenesulfonyl chloride?
The IUPAC name of 4-pentoxybenzenesulfonyl chloride (CID 3794965) is 4-pentoxybenzenesulfonyl chloride.
What is the SMILES notation for 4-pentoxybenzenesulfonyl chloride?
The canonical SMILES for 4-pentoxybenzenesulfonyl chloride is CCCCCOc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-pentoxybenzenesulfonyl chloride?
The InChIKey is WPNBAZJJEQNSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-2-3-4-9-15-10-5-7-11(8-6-10)16(12,13)14/h5-8H,2-4,9H2,1H3.
What are the key properties of 4-pentoxybenzenesulfonyl chloride?
4-pentoxybenzenesulfonyl chloride has a molecular weight of 262.76 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxybenzenesulfonyl chloride is sourced from PubChem (CID 3794965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).