2-(2-butoxyethoxy)pyridine-3-sulfonyl chloride

C11H16ClNO4S — CID 112572976

IUPAC2-(2-butoxyethoxy)pyridine-3-sulfonyl chloride
SMILESCCCCOCCOc1ncccc1S(=O)(=O)Cl
InChIInChI=1S/C11H16ClNO4S/c1-2-3-7-16-8-9-17-11-10(18(12,14)15)5-4-6-13-11/h4-6H,2-3,7-9H2,1H3
InChIKeyRMPITTMQKUFCRC-UHFFFAOYSA-N
MW293.77 g/mol
LogP2.20
Rot. Bonds8

About 2-(2-butoxyethoxy)pyridine-3-sulfonyl chloride

2-(2-butoxyethoxy)pyridine-3-sulfonyl chloride (PubChem CID 112572976) has the molecular formula C11H16ClNO4S and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(2-butoxyethoxy)pyridine-3-sulfonyl chloride
PubChem CID112572976
Molecular FormulaC11H16ClNO4S
Molecular Weight293.77 g/mol
Exact Mass293.05
IUPAC Name2-(2-butoxyethoxy)pyridine-3-sulfonyl chloride
SMILESCCCCOCCOc1ncccc1S(=O)(=O)Cl
InChIInChI=1S/C11H16ClNO4S/c1-2-3-7-16-8-9-17-11-10(18(12,14)15)5-4-6-13-11/h4-6H,2-3,7-9H2,1H3
InChIKeyRMPITTMQKUFCRC-UHFFFAOYSA-N
XLogP2.20
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hexoxypyridine-3-sulfonamide
CID 112572977
2-(2-butoxyethoxy)pyridine-3-carbonitrile
CID 29001144
2-butoxybenzenesulfonyl chloride
CID 21253032
2-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride
CID 112573083
1-[2-(2-butoxyethoxy)-3-pyridinyl]-N-methylethanamine
CID 114056646
2-(4-methylcyclohexyl)oxypyridine-3-sulfonyl chloride
CID 112572932
5-bromo-2-(2-butoxyethoxy)-3-chlorobenzenesulfonyl chloride
CID 61483068
2-[(2-chlorophenyl)methoxy]pyridine-3-sulfonyl chloride
CID 112572936
4-(2-propoxyethoxy)benzenesulfonyl chloride
CID 87522161
2-pentoxybenzenesulfonyl chloride
CID 87516954
3-(2-butoxyethoxy)pyridine-2-carboxylic acid
CID 54958022
2-(2-fluorophenoxy)pyridine-3-sulfonyl chloride
CID 112572880

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 2-(2-butoxyethoxy)pyridine-3-sulfonyl chloride (CID 112572976) is 2-(2-butoxyethoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-(2-butoxyethoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 2-(2-butoxyethoxy)pyridine-3-sulfonyl chloride is CCCCOCCOc1ncccc1S(=O)(=O)Cl.
What is the InChIKey of 2-(2-butoxyethoxy)pyridine-3-sulfonyl chloride?
The InChIKey is RMPITTMQKUFCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO4S/c1-2-3-7-16-8-9-17-11-10(18(12,14)15)5-4-6-13-11/h4-6H,2-3,7-9H2,1H3.
What are the key properties of 2-(2-butoxyethoxy)pyridine-3-sulfonyl chloride?
2-(2-butoxyethoxy)pyridine-3-sulfonyl chloride has a molecular weight of 293.77 g/mol, XLogP of 2.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 112572976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).