5-(oxan-4-yloxy)quinoline-8-sulfonyl chloride

C14H14ClNO4S — CID 103044607

IUPAC5-(oxan-4-yloxy)quinoline-8-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OC2CCOCC2)c2cccnc12
InChIInChI=1S/C14H14ClNO4S/c15-21(17,18)13-4-3-12(11-2-1-7-16-14(11)13)20-10-5-8-19-9-6-10/h1-4,7,10H,5-6,8-9H2
InChIKeyWWTOYUBFGMVCLE-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.72
Rot. Bonds3

About 5-(oxan-4-yloxy)quinoline-8-sulfonyl chloride

5-(oxan-4-yloxy)quinoline-8-sulfonyl chloride (PubChem CID 103044607) has the molecular formula C14H14ClNO4S and a molecular weight of 327.79 g/mol. Its IUPAC name is 5-(oxan-4-yloxy)quinoline-8-sulfonyl chloride.

Molecular Properties

Compound Name5-(oxan-4-yloxy)quinoline-8-sulfonyl chloride
PubChem CID103044607
Molecular FormulaC14H14ClNO4S
Molecular Weight327.79 g/mol
Exact Mass327.03
IUPAC Name5-(oxan-4-yloxy)quinoline-8-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OC2CCOCC2)c2cccnc12
InChIInChI=1S/C14H14ClNO4S/c15-21(17,18)13-4-3-12(11-2-1-7-16-14(11)13)20-10-5-8-19-9-6-10/h1-4,7,10H,5-6,8-9H2
InChIKeyWWTOYUBFGMVCLE-UHFFFAOYSA-N
XLogP2.72
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide
CID 2053792
8-{[4-(3-Methoxyphenyl)piperazin-1-yl]sulfonyl}quinoline
CID 16194073
3-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide
CID 69075970
imino({3-[(1S)-1-[(7-methoxyquinolin-4-yl)oxy]ethyl]phenyl})methyl-lambda6-sulfanone
CID 166561859
5-Methoxyquinoline-8-sulfonyl chloride
CID 86231454
5-(Propan-2-yloxy)quinoline-8-sulfonyl chloride
CID 103044636
5-Ethoxyquinoline-8-sulfonyl chloride
CID 116416926
7-Methoxyquinoline-8-sulfonyl chloride
CID 125425794
7-Methoxyquinoline-8-sulfonamide
CID 125427174
2-methoxy-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide
CID 90656553
N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide
CID 90656555
[(2-Methoxyphenyl)methyl](8-quinolylsulfonyl)amine
CID 718732

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yloxy)quinoline-8-sulfonyl chloride?
The IUPAC name of 5-(oxan-4-yloxy)quinoline-8-sulfonyl chloride (CID 103044607) is 5-(oxan-4-yloxy)quinoline-8-sulfonyl chloride.
What is the SMILES notation for 5-(oxan-4-yloxy)quinoline-8-sulfonyl chloride?
The canonical SMILES for 5-(oxan-4-yloxy)quinoline-8-sulfonyl chloride is O=S(=O)(Cl)c1ccc(OC2CCOCC2)c2cccnc12.
What is the InChIKey of 5-(oxan-4-yloxy)quinoline-8-sulfonyl chloride?
The InChIKey is WWTOYUBFGMVCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4S/c15-21(17,18)13-4-3-12(11-2-1-7-16-14(11)13)20-10-5-8-19-9-6-10/h1-4,7,10H,5-6,8-9H2.
What are the key properties of 5-(oxan-4-yloxy)quinoline-8-sulfonyl chloride?
5-(oxan-4-yloxy)quinoline-8-sulfonyl chloride has a molecular weight of 327.79 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yloxy)quinoline-8-sulfonyl chloride is sourced from PubChem (CID 103044607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).