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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Related Compounds

7-Aminoquinoline
CID 11377
5-Amino-6-methylquinoline
CID 3022182
8-Methylquinolin-4-amine
CID 16767370
8-Methyl-5-quinolinamine
CID 304808
2,4,6-Trimethyl-N-{(1S)-1-methyl-2-[(8-methylquinolin-5-yl)amino]ethyl}benzenesulfonamide
CID 57651564
N-(6-Methyl-quinolin-5-yl)-benzenesulfonamide
CID 650526
N-hexyl-1-methyl-8-phenylquinolin-1-ium-4-amine;methanesulfonate
CID 11742533
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbutane-1-sulfonamide
CID 42743703
1-[(3S)-1,1-dioxothiolan-3-yl]-N-(quinolin-8-ylmethyl)methanamine
CID 93420731
2-[(5-chloroquinolin-8-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335411
N,N-dimethyl-2-(quinolin-8-ylmethylamino)ethanesulfonamide
CID 106335672
2-[(5-fluoroquinolin-8-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 138046678

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).