2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide

C13H15ClN2O3S — CID 61052466

IUPAC2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide
SMILESCCC(CO)NS(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C13H15ClN2O3S/c1-2-10(8-17)16-20(18,19)11-4-5-12-9(7-11)3-6-13(14)15-12/h3-7,10,16-17H,2,8H2,1H3
InChIKeyKZGDGWPMBONCFU-UHFFFAOYSA-N
MW314.79 g/mol
LogP1.94
Rot. Bonds5

About 2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide

2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide (PubChem CID 61052466) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is 2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide
PubChem CID61052466
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide
SMILESCCC(CO)NS(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C13H15ClN2O3S/c1-2-10(8-17)16-20(18,19)11-4-5-12-9(7-11)3-6-13(14)15-12/h3-7,10,16-17H,2,8H2,1H3
InChIKeyKZGDGWPMBONCFU-UHFFFAOYSA-N
XLogP1.94
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 51.94
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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Related Compounds

2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide
CID 107856823
2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide
CID 43456723
2-N,6-N-bis(1-hydroxybutan-2-yl)-9,10-dioxoanthracene-2,6-disulfonamide
CID 4568672
2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide
CID 64570321
2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide
CID 107856698
4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-3-nitrobenzenesulfonamide
CID 113498887
5-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-2-methylbenzoic acid
CID 107216134
N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide
CID 51697625
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104981948
4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 67276511
methyl 3-[(2-chloroquinolin-6-yl)sulfonylamino]propanoate
CID 61053588
3-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501743

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide?
The IUPAC name of 2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide (CID 61052466) is 2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide is CCC(CO)NS(=O)(=O)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide?
The InChIKey is KZGDGWPMBONCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c1-2-10(8-17)16-20(18,19)11-4-5-12-9(7-11)3-6-13(14)15-12/h3-7,10,16-17H,2,8H2,1H3.
What are the key properties of 2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide?
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide has a molecular weight of 314.79 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide is sourced from PubChem (CID 61052466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).