6-pentoxynaphthalene-2-sulfonyl chloride

C15H17ClO3S — CID 25158139

IUPAC6-pentoxynaphthalene-2-sulfonyl chloride
SMILESCCCCCOc1ccc2cc(S(=O)(=O)Cl)ccc2c1
InChIInChI=1S/C15H17ClO3S/c1-2-3-4-9-19-14-7-5-13-11-15(20(16,17)18)8-6-12(13)10-14/h5-8,10-11H,2-4,9H2,1H3
InChIKeyZRBPOTLPZCBKHY-UHFFFAOYSA-N
MW312.82 g/mol
LogP4.34
Rot. Bonds6

About 6-pentoxynaphthalene-2-sulfonyl chloride

6-pentoxynaphthalene-2-sulfonyl chloride (PubChem CID 25158139) has the molecular formula C15H17ClO3S and a molecular weight of 312.82 g/mol. Its IUPAC name is 6-pentoxynaphthalene-2-sulfonyl chloride.

Molecular Properties

Compound Name6-pentoxynaphthalene-2-sulfonyl chloride
PubChem CID25158139
Molecular FormulaC15H17ClO3S
Molecular Weight312.82 g/mol
Exact Mass312.06
IUPAC Name6-pentoxynaphthalene-2-sulfonyl chloride
SMILESCCCCCOc1ccc2cc(S(=O)(=O)Cl)ccc2c1
InChIInChI=1S/C15H17ClO3S/c1-2-3-4-9-19-14-7-5-13-11-15(20(16,17)18)8-6-12(13)10-14/h5-8,10-11H,2-4,9H2,1H3
InChIKeyZRBPOTLPZCBKHY-UHFFFAOYSA-N
XLogP4.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-pentoxynaphthalene-2-sulfonyl 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

ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate
CID 25158140
3-butoxy-4-chlorobenzenesulfonyl chloride
CID 50876022
2-bromo-4-hexoxybenzenesulfonyl chloride
CID 98469013
6-butan-2-yloxynaphthalene-2-sulfonyl chloride
CID 135175462
1-dodecoxy-4-[(4-dodecoxyphenyl)sulfonylmethylsulfonyl]benzene
CID 23437512
7-methoxynaphthalene-2-sulfonyl chloride
CID 10515266
6-octoxynaphthalene-2-sulfinate
CID 57010538
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
sodium 4-undecoxybenzenesulfonate
CID 139816425
2,6-bis(6-hexoxynaphthalen-2-yl)anthracene
CID 102033937
6-octadecoxynaphthalene-2-carboxylic acid
CID 71245003
3-butan-2-yl-4-pentoxybenzenesulfonyl chloride
CID 43134446

Frequently Asked Questions

What is the IUPAC name of 6-pentoxynaphthalene-2-sulfonyl chloride?
The IUPAC name of 6-pentoxynaphthalene-2-sulfonyl chloride (CID 25158139) is 6-pentoxynaphthalene-2-sulfonyl chloride.
What is the SMILES notation for 6-pentoxynaphthalene-2-sulfonyl chloride?
The canonical SMILES for 6-pentoxynaphthalene-2-sulfonyl chloride is CCCCCOc1ccc2cc(S(=O)(=O)Cl)ccc2c1.
What is the InChIKey of 6-pentoxynaphthalene-2-sulfonyl chloride?
The InChIKey is ZRBPOTLPZCBKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO3S/c1-2-3-4-9-19-14-7-5-13-11-15(20(16,17)18)8-6-12(13)10-14/h5-8,10-11H,2-4,9H2,1H3.
What are the key properties of 6-pentoxynaphthalene-2-sulfonyl chloride?
6-pentoxynaphthalene-2-sulfonyl chloride has a molecular weight of 312.82 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentoxynaphthalene-2-sulfonyl chloride is sourced from PubChem (CID 25158139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).