3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide

C13H15ClN2O2S — CID 54877715

IUPAC3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)CCCCl)c2cccnc12
InChIInChI=1S/C13H15ClN2O2S/c1-10-5-6-12(11-4-2-8-15-13(10)11)16-19(17,18)9-3-7-14/h2,4-6,8,16H,3,7,9H2,1H3
InChIKeyQIJYOMFBNPQYKN-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.91
Rot. Bonds5

About 3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide

3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide (PubChem CID 54877715) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.79 g/mol. Its IUPAC name is 3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide
PubChem CID54877715
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.79 g/mol
Exact Mass298.05
IUPAC Name3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)CCCCl)c2cccnc12
InChIInChI=1S/C13H15ClN2O2S/c1-10-5-6-12(11-4-2-8-15-13(10)11)16-19(17,18)9-3-7-14/h2,4-6,8,16H,3,7,9H2,1H3
InChIKeyQIJYOMFBNPQYKN-UHFFFAOYSA-N
XLogP2.91
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide (CID 54877715) is 3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide is Cc1ccc(NS(=O)(=O)CCCCl)c2cccnc12.
What is the InChIKey of 3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide?
The InChIKey is QIJYOMFBNPQYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-10-5-6-12(11-4-2-8-15-13(10)11)16-19(17,18)9-3-7-14/h2,4-6,8,16H,3,7,9H2,1H3.
What are the key properties of 3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide?
3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide has a molecular weight of 298.79 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide is sourced from PubChem (CID 54877715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).