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

C11H9Br2N3O2S — CID 43327262

IUPACN-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)nc1
InChIInChI=1S/C11H9Br2N3O2S/c12-7-1-3-9(13)10(5-7)19(17,18)16-11-4-2-8(14)6-15-11/h1-6H,14H2,(H,15,16)
InChIKeyVCNBTTHAILEXDD-UHFFFAOYSA-N
MW407.09 g/mol
LogP2.99
Rot. Bonds3

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

N-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide (PubChem CID 43327262) has the molecular formula C11H9Br2N3O2S and a molecular weight of 407.09 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide
PubChem CID43327262
Molecular FormulaC11H9Br2N3O2S
Molecular Weight407.09 g/mol
Exact Mass404.88
IUPAC NameN-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)nc1
InChIInChI=1S/C11H9Br2N3O2S/c12-7-1-3-9(13)10(5-7)19(17,18)16-11-4-2-8(14)6-15-11/h1-6H,14H2,(H,15,16)
InChIKeyVCNBTTHAILEXDD-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-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide
CID 61293712
2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
CID 79729131
4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 43114331
N-(5-amino-2-pyridinyl)-4-bromo-2,6-dichlorobenzenesulfonamide
CID 43327264
5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65023326
4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 43258667
N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide
CID 29008391
N-(5-amino-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 43144676
2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 63903663
5-amino-2-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 65206477
5-amino-2-bromo-N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 65206792
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 43114317

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide (CID 43327262) is N-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide is Nc1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)nc1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide?
The InChIKey is VCNBTTHAILEXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3O2S/c12-7-1-3-9(13)10(5-7)19(17,18)16-11-4-2-8(14)6-15-11/h1-6H,14H2,(H,15,16).
What are the key properties of N-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide?
N-(5-amino-2-pyridinyl)-2,5-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-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide is sourced from PubChem (CID 43327262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).