2-chloro-N-(cyclobutylmethyl)-N-methylquinoline-6-sulfonamide

C15H17ClN2O2S — CID 62861512

IUPAC2-chloro-N-(cyclobutylmethyl)-N-methylquinoline-6-sulfonamide
SMILESCN(CC1CCC1)S(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C15H17ClN2O2S/c1-18(10-11-3-2-4-11)21(19,20)13-6-7-14-12(9-13)5-8-15(16)17-14/h5-9,11H,2-4,10H2,1H3
InChIKeyAMZOWAQXWVDFFV-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.31
Rot. Bonds4

About 2-chloro-N-(cyclobutylmethyl)-N-methylquinoline-6-sulfonamide

2-chloro-N-(cyclobutylmethyl)-N-methylquinoline-6-sulfonamide (PubChem CID 62861512) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-chloro-N-(cyclobutylmethyl)-N-methylquinoline-6-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(cyclobutylmethyl)-N-methylquinoline-6-sulfonamide
PubChem CID62861512
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-chloro-N-(cyclobutylmethyl)-N-methylquinoline-6-sulfonamide
SMILESCN(CC1CCC1)S(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C15H17ClN2O2S/c1-18(10-11-3-2-4-11)21(19,20)13-6-7-14-12(9-13)5-8-15(16)17-14/h5-9,11H,2-4,10H2,1H3
InChIKeyAMZOWAQXWVDFFV-UHFFFAOYSA-N
XLogP3.31
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-N-(cyclobutylmethyl)-N-methylquinoline-6-sulfonamide?
The IUPAC name of 2-chloro-N-(cyclobutylmethyl)-N-methylquinoline-6-sulfonamide (CID 62861512) is 2-chloro-N-(cyclobutylmethyl)-N-methylquinoline-6-sulfonamide.
What is the SMILES notation for 2-chloro-N-(cyclobutylmethyl)-N-methylquinoline-6-sulfonamide?
The canonical SMILES for 2-chloro-N-(cyclobutylmethyl)-N-methylquinoline-6-sulfonamide is CN(CC1CCC1)S(=O)(=O)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-(cyclobutylmethyl)-N-methylquinoline-6-sulfonamide?
The InChIKey is AMZOWAQXWVDFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-18(10-11-3-2-4-11)21(19,20)13-6-7-14-12(9-13)5-8-15(16)17-14/h5-9,11H,2-4,10H2,1H3.
What are the key properties of 2-chloro-N-(cyclobutylmethyl)-N-methylquinoline-6-sulfonamide?
2-chloro-N-(cyclobutylmethyl)-N-methylquinoline-6-sulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclobutylmethyl)-N-methylquinoline-6-sulfonamide is sourced from PubChem (CID 62861512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).