6-quinolin-3-yloxyhexane-1-sulfonamide

C15H20N2O3S — CID 107388061

IUPAC6-quinolin-3-yloxyhexane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCOc1cnc2ccccc2c1
InChIInChI=1S/C15H20N2O3S/c16-21(18,19)10-6-2-1-5-9-20-14-11-13-7-3-4-8-15(13)17-12-14/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H2,16,18,19)
InChIKeyDGVMNVMWBZTNIT-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.46
Rot. Bonds8

About 6-quinolin-3-yloxyhexane-1-sulfonamide

6-quinolin-3-yloxyhexane-1-sulfonamide (PubChem CID 107388061) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 6-quinolin-3-yloxyhexane-1-sulfonamide.

Molecular Properties

Compound Name6-quinolin-3-yloxyhexane-1-sulfonamide
PubChem CID107388061
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name6-quinolin-3-yloxyhexane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCOc1cnc2ccccc2c1
InChIInChI=1S/C15H20N2O3S/c16-21(18,19)10-6-2-1-5-9-20-14-11-13-7-3-4-8-15(13)17-12-14/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H2,16,18,19)
InChIKeyDGVMNVMWBZTNIT-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

2-quinolin-3-yloxyethanesulfonyl chloride
CID 107388048
2-quinolin-3-yloxyethanamine
CID 84661473
N-methyl-6-quinolin-3-yloxyhexan-1-amine
CID 107387823
3-quinolin-3-yloxypropanamide
CID 107388241
2-quinolin-3-yloxyethanol
CID 102847036
N-propyl-6-quinolin-3-yloxyhexan-1-amine
CID 107387874
N-tert-butyl-5-quinolin-3-yloxypentan-1-amine
CID 107387805
9-(3-bromophenoxy)nonane-1-sulfonamide
CID 105343891
3-(3,3,3-trifluoropropoxy)quinoline
CID 102846999
3-(bromomethoxy)quinoline
CID 54277099
3-(3-ethylsulfanylpropoxy)quinoline
CID 102847017
6-methoxyhexyl-methylidene-oxo-(quinolin-3-ylmethyl)-λ6-sulfane
CID 142246181

Frequently Asked Questions

What is the IUPAC name of 6-quinolin-3-yloxyhexane-1-sulfonamide?
The IUPAC name of 6-quinolin-3-yloxyhexane-1-sulfonamide (CID 107388061) is 6-quinolin-3-yloxyhexane-1-sulfonamide.
What is the SMILES notation for 6-quinolin-3-yloxyhexane-1-sulfonamide?
The canonical SMILES for 6-quinolin-3-yloxyhexane-1-sulfonamide is NS(=O)(=O)CCCCCCOc1cnc2ccccc2c1.
What is the InChIKey of 6-quinolin-3-yloxyhexane-1-sulfonamide?
The InChIKey is DGVMNVMWBZTNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c16-21(18,19)10-6-2-1-5-9-20-14-11-13-7-3-4-8-15(13)17-12-14/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H2,16,18,19).
What are the key properties of 6-quinolin-3-yloxyhexane-1-sulfonamide?
6-quinolin-3-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-3-yloxyhexane-1-sulfonamide is sourced from PubChem (CID 107388061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).