N-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide

C11H9BrClN3O2S — CID 106606554

IUPACN-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)cn1
InChIInChI=1S/C11H9BrClN3O2S/c12-9-5-8(2-3-10(9)13)19(17,18)16-7-1-4-11(14)15-6-7/h1-6,16H,(H2,14,15)
InChIKeyVLZMYXUCCSAOLI-UHFFFAOYSA-N
MW362.64 g/mol
LogP2.88
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide

N-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide (PubChem CID 106606554) has the molecular formula C11H9BrClN3O2S and a molecular weight of 362.64 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide
PubChem CID106606554
Molecular FormulaC11H9BrClN3O2S
Molecular Weight362.64 g/mol
Exact Mass360.93
IUPAC NameN-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)cn1
InChIInChI=1S/C11H9BrClN3O2S/c12-9-5-8(2-3-10(9)13)19(17,18)16-7-1-4-11(14)15-6-7/h1-6,16H,(H2,14,15)
InChIKeyVLZMYXUCCSAOLI-UHFFFAOYSA-N
XLogP2.88
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.64
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide
CID 106611697
N-(6-amino-3-pyridinyl)-3,5-dichlorobenzenesulfonamide
CID 55025804
6-amino-N-(4-chloro-3-fluorophenyl)pyridine-3-sulfonamide
CID 62151485
6-amino-N-(3-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 62164219
N-(6-amino-3-pyridinyl)-3,5-difluorobenzenesulfonamide
CID 60791459
N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide
CID 60824053
N-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 60791769
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067
N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide
CID 60824210
6-amino-N-(4-bromo-3-methoxyphenyl)pyridine-3-sulfonamide
CID 82857469
N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106604917

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide (CID 106606554) is N-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide is Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide?
The InChIKey is VLZMYXUCCSAOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O2S/c12-9-5-8(2-3-10(9)13)19(17,18)16-7-1-4-11(14)15-6-7/h1-6,16H,(H2,14,15).
What are the key properties of N-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide?
N-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide has a molecular weight of 362.64 g/mol, XLogP of 2.88, 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)-3-bromo-4-chlorobenzenesulfonamide is sourced from PubChem (CID 106606554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).