2,4-dichloro-N-(2-hydroxypropyl)quinoline-3-sulfonamide

C12H12Cl2N2O3S — CID 136557762

IUPAC2,4-dichloro-N-(2-hydroxypropyl)quinoline-3-sulfonamide
SMILESCC(O)CNS(=O)(=O)c1c(Cl)nc2ccccc2c1Cl
InChIInChI=1S/C12H12Cl2N2O3S/c1-7(17)6-15-20(18,19)11-10(13)8-4-2-3-5-9(8)16-12(11)14/h2-5,7,15,17H,6H2,1H3
InChIKeyVJRNPDDPRLQFIZ-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.20
Rot. Bonds4

About 2,4-dichloro-N-(2-hydroxypropyl)quinoline-3-sulfonamide

2,4-dichloro-N-(2-hydroxypropyl)quinoline-3-sulfonamide (PubChem CID 136557762) has the molecular formula C12H12Cl2N2O3S and a molecular weight of 335.21 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-hydroxypropyl)quinoline-3-sulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-hydroxypropyl)quinoline-3-sulfonamide
PubChem CID136557762
Molecular FormulaC12H12Cl2N2O3S
Molecular Weight335.21 g/mol
Exact Mass333.99
IUPAC Name2,4-dichloro-N-(2-hydroxypropyl)quinoline-3-sulfonamide
SMILESCC(O)CNS(=O)(=O)c1c(Cl)nc2ccccc2c1Cl
InChIInChI=1S/C12H12Cl2N2O3S/c1-7(17)6-15-20(18,19)11-10(13)8-4-2-3-5-9(8)16-12(11)14/h2-5,7,15,17H,6H2,1H3
InChIKeyVJRNPDDPRLQFIZ-UHFFFAOYSA-N
XLogP2.20
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.20
H-Bond Donors ≤ 52
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 2,4-dichloro-N-(2-hydroxypropyl)quinoline-3-sulfonamide?
The IUPAC name of 2,4-dichloro-N-(2-hydroxypropyl)quinoline-3-sulfonamide (CID 136557762) is 2,4-dichloro-N-(2-hydroxypropyl)quinoline-3-sulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(2-hydroxypropyl)quinoline-3-sulfonamide?
The canonical SMILES for 2,4-dichloro-N-(2-hydroxypropyl)quinoline-3-sulfonamide is CC(O)CNS(=O)(=O)c1c(Cl)nc2ccccc2c1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-hydroxypropyl)quinoline-3-sulfonamide?
The InChIKey is VJRNPDDPRLQFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3S/c1-7(17)6-15-20(18,19)11-10(13)8-4-2-3-5-9(8)16-12(11)14/h2-5,7,15,17H,6H2,1H3.
What are the key properties of 2,4-dichloro-N-(2-hydroxypropyl)quinoline-3-sulfonamide?
2,4-dichloro-N-(2-hydroxypropyl)quinoline-3-sulfonamide has a molecular weight of 335.21 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-hydroxypropyl)quinoline-3-sulfonamide is sourced from PubChem (CID 136557762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).