4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide

C12H11BrClN3O2S — CID 65489469

IUPAC4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(Cl)c1NS(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C12H11BrClN3O2S/c1-7-4-5-16-12(14)11(7)17-20(18,19)8-2-3-10(15)9(13)6-8/h2-6,17H,15H2,1H3
InChIKeyLNPJDLXITMTXNB-UHFFFAOYSA-N
MW376.66 g/mol
LogP3.19
Rot. Bonds3

About 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide

4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 65489469) has the molecular formula C12H11BrClN3O2S and a molecular weight of 376.66 g/mol. Its IUPAC name is 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID65489469
Molecular FormulaC12H11BrClN3O2S
Molecular Weight376.66 g/mol
Exact Mass374.94
IUPAC Name4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(Cl)c1NS(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C12H11BrClN3O2S/c1-7-4-5-16-12(14)11(7)17-20(18,19)8-2-3-10(15)9(13)6-8/h2-6,17H,15H2,1H3
InChIKeyLNPJDLXITMTXNB-UHFFFAOYSA-N
XLogP3.19
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.66
LogP ≤ 53.19
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

3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide
CID 65491849
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65488884
2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65490667
2-amino-5-chloro-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65491458
2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyrimidine-5-sulfonamide
CID 65489476
4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65490876
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 79885317
4-amino-3-bromo-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 62058293
2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 65490489
4-amino-N-(2-chloropyrimidin-4-yl)-3-methylbenzenesulfonamide
CID 116794691
4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83167153
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65489076

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide (CID 65489469) is 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide is Cc1ccnc(Cl)c1NS(=O)(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is LNPJDLXITMTXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O2S/c1-7-4-5-16-12(14)11(7)17-20(18,19)8-2-3-10(15)9(13)6-8/h2-6,17H,15H2,1H3.
What are the key properties of 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide?
4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 376.66 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 65489469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).