N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide

C12H11Br2N3O2S — CID 61293712

IUPACN-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Br)ccc2Br)ncc1N
InChIInChI=1S/C12H11Br2N3O2S/c1-7-4-12(16-6-10(7)15)17-20(18,19)11-5-8(13)2-3-9(11)14/h2-6H,15H2,1H3,(H,16,17)
InChIKeyVTBQPMIUHRTVQA-UHFFFAOYSA-N
MW421.11 g/mol
LogP3.30
Rot. Bonds3

About N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide

N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide (PubChem CID 61293712) has the molecular formula C12H11Br2N3O2S and a molecular weight of 421.11 g/mol. Its IUPAC name is N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide
PubChem CID61293712
Molecular FormulaC12H11Br2N3O2S
Molecular Weight421.11 g/mol
Exact Mass418.89
IUPAC NameN-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Br)ccc2Br)ncc1N
InChIInChI=1S/C12H11Br2N3O2S/c1-7-4-12(16-6-10(7)15)17-20(18,19)11-5-8(13)2-3-9(11)14/h2-6H,15H2,1H3,(H,16,17)
InChIKeyVTBQPMIUHRTVQA-UHFFFAOYSA-N
XLogP3.30
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.11
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
CID 79729131
N-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide
CID 43327262
N-(5-amino-4-methyl-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 61293161
2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783
N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide
CID 28941729
N-(5-amino-4-methyl-2-pyridinyl)-3-bromothiophene-2-sulfonamide
CID 54947505
N-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 61293532
5-amino-2-(dimethylsulfamoylamino)-4-methylpyridine
CID 61292614
N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide
CID 29008391
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 79733311
5-amino-2-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 65206477
5-amino-N-(5-bromo-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79961728

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide?
The IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide (CID 61293712) is N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide?
The canonical SMILES for N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(Br)ccc2Br)ncc1N.
What is the InChIKey of N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide?
The InChIKey is VTBQPMIUHRTVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O2S/c1-7-4-12(16-6-10(7)15)17-20(18,19)11-5-8(13)2-3-9(11)14/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide?
N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide has a molecular weight of 421.11 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide is sourced from PubChem (CID 61293712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).