8-(1-cyanopropoxy)quinoline-5-sulfonyl chloride

C13H11ClN2O3S — CID 82910374

IUPAC8-(1-cyanopropoxy)quinoline-5-sulfonyl chloride
SMILESCCC(C#N)Oc1ccc(S(=O)(=O)Cl)c2cccnc12
InChIInChI=1S/C13H11ClN2O3S/c1-2-9(8-15)19-11-5-6-12(20(14,17)18)10-4-3-7-16-13(10)11/h3-7,9H,2H2,1H3
InChIKeyUJLOFAKDKDPFEW-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.84
Rot. Bonds4

About 8-(1-cyanopropoxy)quinoline-5-sulfonyl chloride

8-(1-cyanopropoxy)quinoline-5-sulfonyl chloride (PubChem CID 82910374) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is 8-(1-cyanopropoxy)quinoline-5-sulfonyl chloride.

Molecular Properties

Compound Name8-(1-cyanopropoxy)quinoline-5-sulfonyl chloride
PubChem CID82910374
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Name8-(1-cyanopropoxy)quinoline-5-sulfonyl chloride
SMILESCCC(C#N)Oc1ccc(S(=O)(=O)Cl)c2cccnc12
InChIInChI=1S/C13H11ClN2O3S/c1-2-9(8-15)19-11-5-6-12(20(14,17)18)10-4-3-7-16-13(10)11/h3-7,9H,2H2,1H3
InChIKeyUJLOFAKDKDPFEW-UHFFFAOYSA-N
XLogP2.84
TPSA80.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1-cyanopropoxy)quinoline-5-sulfonyl chloride?
The IUPAC name of 8-(1-cyanopropoxy)quinoline-5-sulfonyl chloride (CID 82910374) is 8-(1-cyanopropoxy)quinoline-5-sulfonyl chloride.
What is the SMILES notation for 8-(1-cyanopropoxy)quinoline-5-sulfonyl chloride?
The canonical SMILES for 8-(1-cyanopropoxy)quinoline-5-sulfonyl chloride is CCC(C#N)Oc1ccc(S(=O)(=O)Cl)c2cccnc12.
What is the InChIKey of 8-(1-cyanopropoxy)quinoline-5-sulfonyl chloride?
The InChIKey is UJLOFAKDKDPFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-2-9(8-15)19-11-5-6-12(20(14,17)18)10-4-3-7-16-13(10)11/h3-7,9H,2H2,1H3.
What are the key properties of 8-(1-cyanopropoxy)quinoline-5-sulfonyl chloride?
8-(1-cyanopropoxy)quinoline-5-sulfonyl chloride has a molecular weight of 310.76 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-cyanopropoxy)quinoline-5-sulfonyl chloride is sourced from PubChem (CID 82910374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).