2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide

C14H17ClN2O3S — CID 83171653

IUPAC2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide
SMILESCCC(CC)Oc1ccc(S(N)(=O)=O)c2ccc(Cl)nc12
InChIInChI=1S/C14H17ClN2O3S/c1-3-9(4-2)20-11-6-7-12(21(16,18)19)10-5-8-13(15)17-14(10)11/h5-9H,3-4H2,1-2H3,(H2,16,18,19)
InChIKeyXFOBHKHVGQRINN-UHFFFAOYSA-N
MW328.82 g/mol
LogP3.10
Rot. Bonds5

About 2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide

2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide (PubChem CID 83171653) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide
PubChem CID83171653
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide
SMILESCCC(CC)Oc1ccc(S(N)(=O)=O)c2ccc(Cl)nc12
InChIInChI=1S/C14H17ClN2O3S/c1-3-9(4-2)20-11-6-7-12(21(16,18)19)10-5-8-13(15)17-14(10)11/h5-9H,3-4H2,1-2H3,(H2,16,18,19)
InChIKeyXFOBHKHVGQRINN-UHFFFAOYSA-N
XLogP3.10
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-8-pentoxyquinoline-5-sulfonamide
CID 83171239
2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide
CID 83224888
2-chloro-N-ethyl-8-propan-2-yloxyquinoline-5-sulfonamide
CID 112553274
2-chloro-8-pent-4-enoxyquinoline-5-sulfonamide
CID 83171367
2-chloro-8-ethoxy-N-propan-2-ylquinoline-5-sulfonamide
CID 112553282
2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride
CID 83172298
8-[(E)-but-2-enoxy]-2-chloroquinoline-5-sulfonyl chloride
CID 83224887
2-chloro-8-prop-2-enoxyquinoline-5-sulfonyl chloride
CID 83224316
2-chloroquinoline-5-sulfonamide
CID 154295379
8-[(E)-but-2-enoxy]quinoline-5-sulfonamide
CID 82921921
4-ethoxy-2,3-dimethylbenzenesulfonamide
CID 43164397
2-chloro-6-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropoxy)pyridine
CID 137395456

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide?
The IUPAC name of 2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide (CID 83171653) is 2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide.
What is the SMILES notation for 2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide?
The canonical SMILES for 2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide is CCC(CC)Oc1ccc(S(N)(=O)=O)c2ccc(Cl)nc12.
What is the InChIKey of 2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide?
The InChIKey is XFOBHKHVGQRINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c1-3-9(4-2)20-11-6-7-12(21(16,18)19)10-5-8-13(15)17-14(10)11/h5-9H,3-4H2,1-2H3,(H2,16,18,19).
What are the key properties of 2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide?
2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide has a molecular weight of 328.82 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide is sourced from PubChem (CID 83171653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).