2-chloro-N-ethyl-8-propan-2-yloxyquinoline-5-sulfonamide

C14H17ClN2O3S — CID 112553274

IUPAC2-chloro-N-ethyl-8-propan-2-yloxyquinoline-5-sulfonamide
SMILESCCNS(=O)(=O)c1ccc(OC(C)C)c2nc(Cl)ccc12
InChIInChI=1S/C14H17ClN2O3S/c1-4-16-21(18,19)12-7-6-11(20-9(2)3)14-10(12)5-8-13(15)17-14/h5-9,16H,4H2,1-3H3
InChIKeyPJCCWWQSLZIYJD-UHFFFAOYSA-N
MW328.82 g/mol
LogP2.97
Rot. Bonds5

About 2-chloro-N-ethyl-8-propan-2-yloxyquinoline-5-sulfonamide

2-chloro-N-ethyl-8-propan-2-yloxyquinoline-5-sulfonamide (PubChem CID 112553274) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 2-chloro-N-ethyl-8-propan-2-yloxyquinoline-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-8-propan-2-yloxyquinoline-5-sulfonamide
PubChem CID112553274
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name2-chloro-N-ethyl-8-propan-2-yloxyquinoline-5-sulfonamide
SMILESCCNS(=O)(=O)c1ccc(OC(C)C)c2nc(Cl)ccc12
InChIInChI=1S/C14H17ClN2O3S/c1-4-16-21(18,19)12-7-6-11(20-9(2)3)14-10(12)5-8-13(15)17-14/h5-9,16H,4H2,1-3H3
InChIKeyPJCCWWQSLZIYJD-UHFFFAOYSA-N
XLogP2.97
TPSA68.29 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 ≤ 52.97
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-8-propan-2-yloxyquinoline-5-sulfonamide?
The IUPAC name of 2-chloro-N-ethyl-8-propan-2-yloxyquinoline-5-sulfonamide (CID 112553274) is 2-chloro-N-ethyl-8-propan-2-yloxyquinoline-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-8-propan-2-yloxyquinoline-5-sulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-8-propan-2-yloxyquinoline-5-sulfonamide is CCNS(=O)(=O)c1ccc(OC(C)C)c2nc(Cl)ccc12.
What is the InChIKey of 2-chloro-N-ethyl-8-propan-2-yloxyquinoline-5-sulfonamide?
The InChIKey is PJCCWWQSLZIYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c1-4-16-21(18,19)12-7-6-11(20-9(2)3)14-10(12)5-8-13(15)17-14/h5-9,16H,4H2,1-3H3.
What are the key properties of 2-chloro-N-ethyl-8-propan-2-yloxyquinoline-5-sulfonamide?
2-chloro-N-ethyl-8-propan-2-yloxyquinoline-5-sulfonamide has a molecular weight of 328.82 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-8-propan-2-yloxyquinoline-5-sulfonamide is sourced from PubChem (CID 112553274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).