2-chloro-N-(2-methyloxolan-3-yl)quinoline-6-sulfonamide

C14H15ClN2O3S — CID 82726200

IUPAC2-chloro-N-(2-methyloxolan-3-yl)quinoline-6-sulfonamide
SMILESCC1OCCC1NS(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C14H15ClN2O3S/c1-9-12(6-7-20-9)17-21(18,19)11-3-4-13-10(8-11)2-5-14(15)16-13/h2-5,8-9,12,17H,6-7H2,1H3
InChIKeyMZJOZBBCSIQFSW-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.34
Rot. Bonds3

About 2-chloro-N-(2-methyloxolan-3-yl)quinoline-6-sulfonamide

2-chloro-N-(2-methyloxolan-3-yl)quinoline-6-sulfonamide (PubChem CID 82726200) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 2-chloro-N-(2-methyloxolan-3-yl)quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyloxolan-3-yl)quinoline-6-sulfonamide
PubChem CID82726200
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name2-chloro-N-(2-methyloxolan-3-yl)quinoline-6-sulfonamide
SMILESCC1OCCC1NS(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C14H15ClN2O3S/c1-9-12(6-7-20-9)17-21(18,19)11-3-4-13-10(8-11)2-5-14(15)16-13/h2-5,8-9,12,17H,6-7H2,1H3
InChIKeyMZJOZBBCSIQFSW-UHFFFAOYSA-N
XLogP2.34
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.34
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

4-amino-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide
CID 82729066
4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82728733
3-(methylamino)-N-(2-methyloxolan-3-yl)-4-nitrobenzenesulfonamide
CID 82845654
2-chloro-N-piperidin-1-ylquinoline-6-sulfonamide
CID 83017406
4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076304
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide
CID 61052466
4-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide
CID 82729356
3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076121
2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide
CID 64570321
5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 82735861
3-chloro-4-(2-methyl-1-oxo-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-6-yl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 167857330
2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide
CID 107856698

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyloxolan-3-yl)quinoline-6-sulfonamide?
The IUPAC name of 2-chloro-N-(2-methyloxolan-3-yl)quinoline-6-sulfonamide (CID 82726200) is 2-chloro-N-(2-methyloxolan-3-yl)quinoline-6-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methyloxolan-3-yl)quinoline-6-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-methyloxolan-3-yl)quinoline-6-sulfonamide is CC1OCCC1NS(=O)(=O)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-(2-methyloxolan-3-yl)quinoline-6-sulfonamide?
The InChIKey is MZJOZBBCSIQFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-9-12(6-7-20-9)17-21(18,19)11-3-4-13-10(8-11)2-5-14(15)16-13/h2-5,8-9,12,17H,6-7H2,1H3.
What are the key properties of 2-chloro-N-(2-methyloxolan-3-yl)quinoline-6-sulfonamide?
2-chloro-N-(2-methyloxolan-3-yl)quinoline-6-sulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyloxolan-3-yl)quinoline-6-sulfonamide is sourced from PubChem (CID 82726200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).