N-(2-amino-4-chlorophenyl)-2-chloroquinoline-6-sulfonamide

C15H11Cl2N3O2S — CID 118579987

IUPACN-(2-amino-4-chlorophenyl)-2-chloroquinoline-6-sulfonamide
SMILESNc1cc(Cl)ccc1NS(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C15H11Cl2N3O2S/c16-10-2-4-14(12(18)8-10)20-23(21,22)11-3-5-13-9(7-11)1-6-15(17)19-13/h1-8,20H,18H2
InChIKeyKZHASHVXEJBECS-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.92
Rot. Bonds3

About N-(2-amino-4-chlorophenyl)-2-chloroquinoline-6-sulfonamide

N-(2-amino-4-chlorophenyl)-2-chloroquinoline-6-sulfonamide (PubChem CID 118579987) has the molecular formula C15H11Cl2N3O2S and a molecular weight of 368.25 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-chloroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-chloroquinoline-6-sulfonamide
PubChem CID118579987
Molecular FormulaC15H11Cl2N3O2S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC NameN-(2-amino-4-chlorophenyl)-2-chloroquinoline-6-sulfonamide
SMILESNc1cc(Cl)ccc1NS(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C15H11Cl2N3O2S/c16-10-2-4-14(12(18)8-10)20-23(21,22)11-3-5-13-9(7-11)1-6-15(17)19-13/h1-8,20H,18H2
InChIKeyKZHASHVXEJBECS-UHFFFAOYSA-N
XLogP3.92
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-pyridin-2-ylquinoline-6-sulfonamide
CID 43456606
2-chloro-N-(1H-pyrazol-4-yl)quinoline-6-sulfonamide
CID 43540237
2-chloro-N-piperidin-1-ylquinoline-6-sulfonamide
CID 83017406
2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide
CID 43552240
N-(2-amino-4-chlorophenyl)-4-propylbenzenesulfonamide
CID 61072072
2-chloroquinolin-6-amine;2-chloroquinoline-6-sulfonyl chloride
CID 162106711
N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43344070
N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide
CID 43343902
N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 107697982
4-amino-3-bromo-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 62057861
4-[(2-chloroquinolin-6-yl)sulfonylamino]butanamide
CID 60864854
2-chloro-N-(1-cyanocyclobutyl)quinoline-6-sulfonamide
CID 61217952

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-chloroquinoline-6-sulfonamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-chloroquinoline-6-sulfonamide (CID 118579987) is N-(2-amino-4-chlorophenyl)-2-chloroquinoline-6-sulfonamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-chloroquinoline-6-sulfonamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-chloroquinoline-6-sulfonamide is Nc1cc(Cl)ccc1NS(=O)(=O)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-chloroquinoline-6-sulfonamide?
The InChIKey is KZHASHVXEJBECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2S/c16-10-2-4-14(12(18)8-10)20-23(21,22)11-3-5-13-9(7-11)1-6-15(17)19-13/h1-8,20H,18H2.
What are the key properties of N-(2-amino-4-chlorophenyl)-2-chloroquinoline-6-sulfonamide?
N-(2-amino-4-chlorophenyl)-2-chloroquinoline-6-sulfonamide has a molecular weight of 368.25 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-2-chloroquinoline-6-sulfonamide is sourced from PubChem (CID 118579987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).