2-chloro-8-ethoxy-N-propan-2-ylquinoline-5-sulfonamide

C14H17ClN2O3S — CID 112553282

IUPAC2-chloro-8-ethoxy-N-propan-2-ylquinoline-5-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)C)c2ccc(Cl)nc12
InChIInChI=1S/C14H17ClN2O3S/c1-4-20-11-6-7-12(21(18,19)17-9(2)3)10-5-8-13(15)16-14(10)11/h5-9,17H,4H2,1-3H3
InChIKeyKYGLOPKCZBIQLU-UHFFFAOYSA-N
MW328.82 g/mol
LogP2.97
Rot. Bonds5

About 2-chloro-8-ethoxy-N-propan-2-ylquinoline-5-sulfonamide

2-chloro-8-ethoxy-N-propan-2-ylquinoline-5-sulfonamide (PubChem CID 112553282) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 2-chloro-8-ethoxy-N-propan-2-ylquinoline-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-8-ethoxy-N-propan-2-ylquinoline-5-sulfonamide
PubChem CID112553282
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name2-chloro-8-ethoxy-N-propan-2-ylquinoline-5-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)C)c2ccc(Cl)nc12
InChIInChI=1S/C14H17ClN2O3S/c1-4-20-11-6-7-12(21(18,19)17-9(2)3)10-5-8-13(15)16-14(10)11/h5-9,17H,4H2,1-3H3
InChIKeyKYGLOPKCZBIQLU-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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Related Compounds

2-chloro-N-ethyl-8-propan-2-yloxyquinoline-5-sulfonamide
CID 112553274
2-chloro-8-pentoxyquinoline-5-sulfonamide
CID 83171239
6-chloro-2-methyl-N-propan-2-ylpyridine-3-sulfonamide
CID 130552400
8-[(E)-but-2-enoxy]-2-chloroquinoline-5-sulfonyl chloride
CID 83224887
2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide
CID 83171653
2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride
CID 83172298
N-[1-(1-adamantyl)ethyl]-8-ethoxyquinoline-5-sulfonamide
CID 126478615
2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide
CID 83224888
2-chloro-8-pent-4-enoxyquinoline-5-sulfonamide
CID 83171367
8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide
CID 25039412
N-[diethoxyphosphoryl(phenyl)methyl]-8-ethoxyquinoline-5-sulfonamide
CID 3857191
N-[(2S)-butan-2-yl]-3-chloro-4-ethoxybenzenesulfonamide
CID 124505539

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-ethoxy-N-propan-2-ylquinoline-5-sulfonamide?
The IUPAC name of 2-chloro-8-ethoxy-N-propan-2-ylquinoline-5-sulfonamide (CID 112553282) is 2-chloro-8-ethoxy-N-propan-2-ylquinoline-5-sulfonamide.
What is the SMILES notation for 2-chloro-8-ethoxy-N-propan-2-ylquinoline-5-sulfonamide?
The canonical SMILES for 2-chloro-8-ethoxy-N-propan-2-ylquinoline-5-sulfonamide is CCOc1ccc(S(=O)(=O)NC(C)C)c2ccc(Cl)nc12.
What is the InChIKey of 2-chloro-8-ethoxy-N-propan-2-ylquinoline-5-sulfonamide?
The InChIKey is KYGLOPKCZBIQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c1-4-20-11-6-7-12(21(18,19)17-9(2)3)10-5-8-13(15)16-14(10)11/h5-9,17H,4H2,1-3H3.
What are the key properties of 2-chloro-8-ethoxy-N-propan-2-ylquinoline-5-sulfonamide?
2-chloro-8-ethoxy-N-propan-2-ylquinoline-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-8-ethoxy-N-propan-2-ylquinoline-5-sulfonamide is sourced from PubChem (CID 112553282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).