6-quinolin-5-yloxyhexane-1-sulfonamide

C15H20N2O3S — CID 103046001

IUPAC6-quinolin-5-yloxyhexane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCOc1cccc2ncccc12
InChIInChI=1S/C15H20N2O3S/c16-21(18,19)12-4-2-1-3-11-20-15-9-5-8-14-13(15)7-6-10-17-14/h5-10H,1-4,11-12H2,(H2,16,18,19)
InChIKeyVLDUZYJDMFTQRC-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.46
Rot. Bonds8

About 6-quinolin-5-yloxyhexane-1-sulfonamide

6-quinolin-5-yloxyhexane-1-sulfonamide (PubChem CID 103046001) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 6-quinolin-5-yloxyhexane-1-sulfonamide.

Molecular Properties

Compound Name6-quinolin-5-yloxyhexane-1-sulfonamide
PubChem CID103046001
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name6-quinolin-5-yloxyhexane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCOc1cccc2ncccc12
InChIInChI=1S/C15H20N2O3S/c16-21(18,19)12-4-2-1-3-11-20-15-9-5-8-14-13(15)7-6-10-17-14/h5-10H,1-4,11-12H2,(H2,16,18,19)
InChIKeyVLDUZYJDMFTQRC-UHFFFAOYSA-N
XLogP2.46
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(9-bromononoxy)quinoline
CID 103044601
6-quinolin-5-yloxyhexane-1-thiol
CID 103046109
4-(2-quinolin-5-yloxyethoxy)aniline
CID 103044211
1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol
CID 103046046
5-(3,3-dimethylbutoxy)quinoline
CID 59667943
2-quinolin-5-yloxyacetaldehyde
CID 103045247
O-quinolin-5-ylhydroxylamine;hydrochloride
CID 162421843
N-(3-aminopropyl)-N-methyl-3-quinolin-5-yloxypropanamide
CID 103044350
2-amino-4-quinolin-5-yloxybutanenitrile
CID 103045532
4-bromo-N-(2-quinolin-5-yloxyethyl)aniline
CID 103045838
5-amino-1-(2-quinolin-5-yloxyethyl)pyridin-2-one
CID 103044201
5-[amino(quinolin-5-yloxy)phosphanyl]oxyquinoline
CID 175462388

Frequently Asked Questions

What is the IUPAC name of 6-quinolin-5-yloxyhexane-1-sulfonamide?
The IUPAC name of 6-quinolin-5-yloxyhexane-1-sulfonamide (CID 103046001) is 6-quinolin-5-yloxyhexane-1-sulfonamide.
What is the SMILES notation for 6-quinolin-5-yloxyhexane-1-sulfonamide?
The canonical SMILES for 6-quinolin-5-yloxyhexane-1-sulfonamide is NS(=O)(=O)CCCCCCOc1cccc2ncccc12.
What is the InChIKey of 6-quinolin-5-yloxyhexane-1-sulfonamide?
The InChIKey is VLDUZYJDMFTQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c16-21(18,19)12-4-2-1-3-11-20-15-9-5-8-14-13(15)7-6-10-17-14/h5-10H,1-4,11-12H2,(H2,16,18,19).
What are the key properties of 6-quinolin-5-yloxyhexane-1-sulfonamide?
6-quinolin-5-yloxyhexane-1-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-quinolin-5-yloxyhexane-1-sulfonamide is sourced from PubChem (CID 103046001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).