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

C12H11BrClN3O2S — CID 65490667

IUPAC2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(Cl)c1NS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H11BrClN3O2S/c1-7-4-5-16-12(14)11(7)17-20(18,19)10-3-2-8(13)6-9(10)15/h2-6,17H,15H2,1H3
InChIKeyTXMMVEKFVJIZPE-UHFFFAOYSA-N
MW376.66 g/mol
LogP3.19
Rot. Bonds3

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

2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 65490667) has the molecular formula C12H11BrClN3O2S and a molecular weight of 376.66 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID65490667
Molecular FormulaC12H11BrClN3O2S
Molecular Weight376.66 g/mol
Exact Mass374.94
IUPAC Name2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(Cl)c1NS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H11BrClN3O2S/c1-7-4-5-16-12(14)11(7)17-20(18,19)10-3-2-8(13)6-9(10)15/h2-6,17H,15H2,1H3
InChIKeyTXMMVEKFVJIZPE-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

2-amino-5-chloro-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65491458
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 79885317
4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65489469
2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 65490489
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide
CID 65491849
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80641824
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide
CID 43258121
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65489076
2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide
CID 114051247
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65488884
2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyrimidine-5-sulfonamide
CID 65489476
2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide
CID 43258932

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide (CID 65490667) is 2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide is Cc1ccnc(Cl)c1NS(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is TXMMVEKFVJIZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O2S/c1-7-4-5-16-12(14)11(7)17-20(18,19)10-3-2-8(13)6-9(10)15/h2-6,17H,15H2,1H3.
What are the key properties of 2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide?
2-amino-4-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 2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 65490667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).