2-chloro-N-(1-cyanocyclobutyl)quinoline-6-sulfonamide

C14H12ClN3O2S — CID 61217952

IUPAC2-chloro-N-(1-cyanocyclobutyl)quinoline-6-sulfonamide
SMILESN#CC1(NS(=O)(=O)c2ccc3nc(Cl)ccc3c2)CCC1
InChIInChI=1S/C14H12ClN3O2S/c15-13-5-2-10-8-11(3-4-12(10)17-13)21(19,20)18-14(9-16)6-1-7-14/h2-5,8,18H,1,6-7H2
InChIKeyCBMAJIJJHNACAG-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.61
Rot. Bonds3

About 2-chloro-N-(1-cyanocyclobutyl)quinoline-6-sulfonamide

2-chloro-N-(1-cyanocyclobutyl)quinoline-6-sulfonamide (PubChem CID 61217952) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 2-chloro-N-(1-cyanocyclobutyl)quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyanocyclobutyl)quinoline-6-sulfonamide
PubChem CID61217952
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name2-chloro-N-(1-cyanocyclobutyl)quinoline-6-sulfonamide
SMILESN#CC1(NS(=O)(=O)c2ccc3nc(Cl)ccc3c2)CCC1
InChIInChI=1S/C14H12ClN3O2S/c15-13-5-2-10-8-11(3-4-12(10)17-13)21(19,20)18-14(9-16)6-1-7-14/h2-5,8,18H,1,6-7H2
InChIKeyCBMAJIJJHNACAG-UHFFFAOYSA-N
XLogP2.61
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.61
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyanocyclobutyl)quinoline-6-sulfonamide?
The IUPAC name of 2-chloro-N-(1-cyanocyclobutyl)quinoline-6-sulfonamide (CID 61217952) is 2-chloro-N-(1-cyanocyclobutyl)quinoline-6-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-cyanocyclobutyl)quinoline-6-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-cyanocyclobutyl)quinoline-6-sulfonamide is N#CC1(NS(=O)(=O)c2ccc3nc(Cl)ccc3c2)CCC1.
What is the InChIKey of 2-chloro-N-(1-cyanocyclobutyl)quinoline-6-sulfonamide?
The InChIKey is CBMAJIJJHNACAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c15-13-5-2-10-8-11(3-4-12(10)17-13)21(19,20)18-14(9-16)6-1-7-14/h2-5,8,18H,1,6-7H2.
What are the key properties of 2-chloro-N-(1-cyanocyclobutyl)quinoline-6-sulfonamide?
2-chloro-N-(1-cyanocyclobutyl)quinoline-6-sulfonamide has a molecular weight of 321.79 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyanocyclobutyl)quinoline-6-sulfonamide is sourced from PubChem (CID 61217952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).