N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide

C11H9Br2N3O2S — CID 60824053

IUPACN-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccc(Br)cc2Br)cn1
InChIInChI=1S/C11H9Br2N3O2S/c12-7-1-3-10(9(13)5-7)19(17,18)16-8-2-4-11(14)15-6-8/h1-6,16H,(H2,14,15)
InChIKeyYQWHOEOIJODWRF-UHFFFAOYSA-N
MW407.09 g/mol
LogP2.99
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide

N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide (PubChem CID 60824053) has the molecular formula C11H9Br2N3O2S and a molecular weight of 407.09 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide
PubChem CID60824053
Molecular FormulaC11H9Br2N3O2S
Molecular Weight407.09 g/mol
Exact Mass404.88
IUPAC NameN-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccc(Br)cc2Br)cn1
InChIInChI=1S/C11H9Br2N3O2S/c12-7-1-3-10(9(13)5-7)19(17,18)16-8-2-4-11(14)15-6-8/h1-6,16H,(H2,14,15)
InChIKeyYQWHOEOIJODWRF-UHFFFAOYSA-N
XLogP2.99
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.09
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide
CID 60824210
N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide
CID 60792229
2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 81495216
2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide
CID 60823437
N-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106606554
2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55125549
N-(6-amino-3-pyridinyl)-5-bromothiophene-2-sulfonamide
CID 60790488
2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 43257274
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 63903663
N-(4-amino-3-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824835
N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824367

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide (CID 60824053) is N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide is Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2Br)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide?
The InChIKey is YQWHOEOIJODWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3O2S/c12-7-1-3-10(9(13)5-7)19(17,18)16-8-2-4-11(14)15-6-8/h1-6,16H,(H2,14,15).
What are the key properties of N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide?
N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide has a molecular weight of 407.09 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide is sourced from PubChem (CID 60824053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).