5-(4-methylpentoxy)quinoline-8-sulfonyl chloride

C15H18ClNO3S — CID 103044656

IUPAC5-(4-methylpentoxy)quinoline-8-sulfonyl chloride
SMILESCC(C)CCCOc1ccc(S(=O)(=O)Cl)c2ncccc12
InChIInChI=1S/C15H18ClNO3S/c1-11(2)5-4-10-20-13-7-8-14(21(16,18)19)15-12(13)6-3-9-17-15/h3,6-9,11H,4-5,10H2,1-2H3
InChIKeyAARCSSVPFOQLFD-UHFFFAOYSA-N
MW327.83 g/mol
LogP3.98
Rot. Bonds6

About 5-(4-methylpentoxy)quinoline-8-sulfonyl chloride

5-(4-methylpentoxy)quinoline-8-sulfonyl chloride (PubChem CID 103044656) has the molecular formula C15H18ClNO3S and a molecular weight of 327.83 g/mol. Its IUPAC name is 5-(4-methylpentoxy)quinoline-8-sulfonyl chloride.

Molecular Properties

Compound Name5-(4-methylpentoxy)quinoline-8-sulfonyl chloride
PubChem CID103044656
Molecular FormulaC15H18ClNO3S
Molecular Weight327.83 g/mol
Exact Mass327.07
IUPAC Name5-(4-methylpentoxy)quinoline-8-sulfonyl chloride
SMILESCC(C)CCCOc1ccc(S(=O)(=O)Cl)c2ncccc12
InChIInChI=1S/C15H18ClNO3S/c1-11(2)5-4-10-20-13-7-8-14(21(16,18)19)15-12(13)6-3-9-17-15/h3,6-9,11H,4-5,10H2,1-2H3
InChIKeyAARCSSVPFOQLFD-UHFFFAOYSA-N
XLogP3.98
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(methylamino)-2-oxoethoxy]quinoline-8-sulfonyl chloride
CID 103044651
5-but-2-ynoxyquinoline-8-sulfonyl chloride
CID 103044649
2,3-dichloro-4-(4-methylpentoxy)benzenesulfonyl chloride
CID 83157190
8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride
CID 65176470
8-propan-2-yloxyquinoline-5-sulfonyl chloride
CID 43115660
5-chloroquinoline-8-sulfonyl chloride
CID 4206949
3-(5-chlorosulfonylquinolin-8-yl)oxypropanoic acid
CID 43115657
2-chloro-3-(4-methylpentoxy)pyridine
CID 83157028
5-propan-2-yloxyquinoline-8-sulfonamide
CID 103045315
5-but-3-ynoxyquinoline-8-sulfonamide
CID 103045310
5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide
CID 103045343
5-(oxan-4-yloxy)quinoline-8-sulfonyl chloride
CID 103044607

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpentoxy)quinoline-8-sulfonyl chloride?
The IUPAC name of 5-(4-methylpentoxy)quinoline-8-sulfonyl chloride (CID 103044656) is 5-(4-methylpentoxy)quinoline-8-sulfonyl chloride.
What is the SMILES notation for 5-(4-methylpentoxy)quinoline-8-sulfonyl chloride?
The canonical SMILES for 5-(4-methylpentoxy)quinoline-8-sulfonyl chloride is CC(C)CCCOc1ccc(S(=O)(=O)Cl)c2ncccc12.
What is the InChIKey of 5-(4-methylpentoxy)quinoline-8-sulfonyl chloride?
The InChIKey is AARCSSVPFOQLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3S/c1-11(2)5-4-10-20-13-7-8-14(21(16,18)19)15-12(13)6-3-9-17-15/h3,6-9,11H,4-5,10H2,1-2H3.
What are the key properties of 5-(4-methylpentoxy)quinoline-8-sulfonyl chloride?
5-(4-methylpentoxy)quinoline-8-sulfonyl chloride has a molecular weight of 327.83 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpentoxy)quinoline-8-sulfonyl chloride is sourced from PubChem (CID 103044656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).