2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide

C11H9BrClN3O2S — CID 43114317

IUPAC2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C11H9BrClN3O2S/c12-7-1-4-11(15-6-7)16-19(17,18)10-3-2-8(13)5-9(10)14/h1-6H,14H2,(H,15,16)
InChIKeyDOZOJTHLMXLJPS-UHFFFAOYSA-N
MW362.64 g/mol
LogP2.88
Rot. Bonds3

About 2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide

2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide (PubChem CID 43114317) has the molecular formula C11H9BrClN3O2S and a molecular weight of 362.64 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide
PubChem CID43114317
Molecular FormulaC11H9BrClN3O2S
Molecular Weight362.64 g/mol
Exact Mass360.93
IUPAC Name2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C11H9BrClN3O2S/c12-7-1-4-11(15-6-7)16-19(17,18)10-3-2-8(13)5-9(10)14/h1-6H,14H2,(H,15,16)
InChIKeyDOZOJTHLMXLJPS-UHFFFAOYSA-N
XLogP2.88
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.64
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide
CID 62955473
4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 43114331
3-amino-4-[(5-bromo-2-pyridinyl)sulfamoyl]benzoic acid
CID 81465963
3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 79889062
5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65023326
2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide
CID 116794766
4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 43258667
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81262415
N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide
CID 19683219
5-amino-N-(5-bromo-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79961728
3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide
CID 106020875
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzamide
CID 28893277

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide (CID 43114317) is 2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide is Nc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide?
The InChIKey is DOZOJTHLMXLJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O2S/c12-7-1-4-11(15-6-7)16-19(17,18)10-3-2-8(13)5-9(10)14/h1-6H,14H2,(H,15,16).
What are the key properties of 2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide?
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide has a molecular weight of 362.64 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 43114317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).