N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide

C9H6BrClN4O2S — CID 114051668

IUPACN-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)nc1)c1cnc(Cl)nc1
InChIInChI=1S/C9H6BrClN4O2S/c10-8-2-1-6(3-12-8)15-18(16,17)7-4-13-9(11)14-5-7/h1-5,15H
InChIKeyBCYQLUSCXBLNKH-UHFFFAOYSA-N
MW349.60 g/mol
LogP2.09
Rot. Bonds3

About N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide

N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide (PubChem CID 114051668) has the molecular formula C9H6BrClN4O2S and a molecular weight of 349.60 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide
PubChem CID114051668
Molecular FormulaC9H6BrClN4O2S
Molecular Weight349.60 g/mol
Exact Mass347.91
IUPAC NameN-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)nc1)c1cnc(Cl)nc1
InChIInChI=1S/C9H6BrClN4O2S/c10-8-2-1-6(3-12-8)15-18(16,17)7-4-13-9(11)14-5-7/h1-5,15H
InChIKeyBCYQLUSCXBLNKH-UHFFFAOYSA-N
XLogP2.09
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.60
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromo-3-pyridinyl)-2,4,6-trichlorobenzenesulfonamide
CID 103775541
2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide
CID 43456340
4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
CID 43456434
N-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103223782
2-chloro-N-(3,5-difluorophenyl)pyrimidine-5-sulfonamide
CID 43456351
N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
CID 107788764
N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide
CID 103775610
N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
CID 103775599
N-(4-bromo-2,6-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
CID 43456516
6-bromo-N-(ethylsulfamoyl)pyridin-3-amine
CID 110614761
2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide
CID 61053173
N-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 103775603

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide (CID 114051668) is N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide is O=S(=O)(Nc1ccc(Br)nc1)c1cnc(Cl)nc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide?
The InChIKey is BCYQLUSCXBLNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN4O2S/c10-8-2-1-6(3-12-8)15-18(16,17)7-4-13-9(11)14-5-7/h1-5,15H.
What are the key properties of N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide?
N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide has a molecular weight of 349.60 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide is sourced from PubChem (CID 114051668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).