N-(5-amino-2-pyridinyl)-4-bromo-2,6-dichlorobenzenesulfonamide

C11H8BrCl2N3O2S — CID 43327264

IUPACN-(5-amino-2-pyridinyl)-4-bromo-2,6-dichlorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)nc1
InChIInChI=1S/C11H8BrCl2N3O2S/c12-6-3-8(13)11(9(14)4-6)20(18,19)17-10-2-1-7(15)5-16-10/h1-5H,15H2,(H,16,17)
InChIKeyRSHMNBYWHHEDIL-UHFFFAOYSA-N
MW397.08 g/mol
LogP3.53
Rot. Bonds3

About N-(5-amino-2-pyridinyl)-4-bromo-2,6-dichlorobenzenesulfonamide

N-(5-amino-2-pyridinyl)-4-bromo-2,6-dichlorobenzenesulfonamide (PubChem CID 43327264) has the molecular formula C11H8BrCl2N3O2S and a molecular weight of 397.08 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-4-bromo-2,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-4-bromo-2,6-dichlorobenzenesulfonamide
PubChem CID43327264
Molecular FormulaC11H8BrCl2N3O2S
Molecular Weight397.08 g/mol
Exact Mass394.89
IUPAC NameN-(5-amino-2-pyridinyl)-4-bromo-2,6-dichlorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)nc1
InChIInChI=1S/C11H8BrCl2N3O2S/c12-6-3-8(13)11(9(14)4-6)20(18,19)17-10-2-1-7(15)5-16-10/h1-5H,15H2,(H,16,17)
InChIKeyRSHMNBYWHHEDIL-UHFFFAOYSA-N
XLogP3.53
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.08
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2,6-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 43258680
4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 43114331
N-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide
CID 43327262
4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138
4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 60660830
4-bromo-2,6-dichloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83167871
4-bromo-N-(5-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 63421665
4-bromo-2,6-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 102990139
5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 29276222
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 43114317
4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide
CID 61471931
4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394406

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-4-bromo-2,6-dichlorobenzenesulfonamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-4-bromo-2,6-dichlorobenzenesulfonamide (CID 43327264) is N-(5-amino-2-pyridinyl)-4-bromo-2,6-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-4-bromo-2,6-dichlorobenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-4-bromo-2,6-dichlorobenzenesulfonamide is Nc1ccc(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)nc1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-4-bromo-2,6-dichlorobenzenesulfonamide?
The InChIKey is RSHMNBYWHHEDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3O2S/c12-6-3-8(13)11(9(14)4-6)20(18,19)17-10-2-1-7(15)5-16-10/h1-5H,15H2,(H,16,17).
What are the key properties of N-(5-amino-2-pyridinyl)-4-bromo-2,6-dichlorobenzenesulfonamide?
N-(5-amino-2-pyridinyl)-4-bromo-2,6-dichlorobenzenesulfonamide has a molecular weight of 397.08 g/mol, XLogP of 3.53, 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)-4-bromo-2,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 43327264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).