2-pentoxybenzenesulfonyl chloride

C11H15ClO3S — CID 87516954

IUPAC2-pentoxybenzenesulfonyl chloride
SMILESCCCCCOc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C11H15ClO3S/c1-2-3-6-9-15-10-7-4-5-8-11(10)16(12,13)14/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyTVSYYPAGUSVHKK-UHFFFAOYSA-N
MW262.76 g/mol
LogP3.18
Rot. Bonds6

About 2-pentoxybenzenesulfonyl chloride

2-pentoxybenzenesulfonyl chloride (PubChem CID 87516954) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 2-pentoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2-pentoxybenzenesulfonyl chloride
PubChem CID87516954
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name2-pentoxybenzenesulfonyl chloride
SMILESCCCCCOc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C11H15ClO3S/c1-2-3-6-9-15-10-7-4-5-8-11(10)16(12,13)14/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyTVSYYPAGUSVHKK-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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Related Compounds

2-butoxybenzenesulfonyl chloride
CID 21253032
1-ethylsulfonyl-2-pentoxybenzene;pentane
CID 174761718
2-octadecoxybenzenesulfonic acid
CID 154123523
5-fluoro-2-pentoxybenzenesulfonyl chloride
CID 62104235
2-(2-methoxyethoxy)benzenesulfonyl chloride
CID 75466193
5-chloro-2-nonoxybenzenesulfonyl chloride
CID 63495663
2-heptoxy-5-methylbenzenesulfonyl chloride
CID 43129113
2-butoxybenzenesulfonic acid
CID 22564598
4-(2-pentoxyphenyl)sulfonylphenol
CID 101144520
2-(methoxymethoxy)benzenesulfonyl chloride
CID 131454177
3-chlorosulfonyl-4-heptoxybenzoic acid
CID 43327834
2,5-dimethyl-4-pentoxybenzenesulfonyl chloride
CID 43134383

Frequently Asked Questions

What is the IUPAC name of 2-pentoxybenzenesulfonyl chloride?
The IUPAC name of 2-pentoxybenzenesulfonyl chloride (CID 87516954) is 2-pentoxybenzenesulfonyl chloride.
What is the SMILES notation for 2-pentoxybenzenesulfonyl chloride?
The canonical SMILES for 2-pentoxybenzenesulfonyl chloride is CCCCCOc1ccccc1S(=O)(=O)Cl.
What is the InChIKey of 2-pentoxybenzenesulfonyl chloride?
The InChIKey is TVSYYPAGUSVHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-2-3-6-9-15-10-7-4-5-8-11(10)16(12,13)14/h4-5,7-8H,2-3,6,9H2,1H3.
What are the key properties of 2-pentoxybenzenesulfonyl chloride?
2-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 2-pentoxybenzenesulfonyl chloride is sourced from PubChem (CID 87516954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).