N-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide

C11H9BrClN3O2S — CID 63062265

IUPACN-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide
SMILESNc1cnccc1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H9BrClN3O2S/c12-7-1-2-11(8(13)5-7)19(17,18)16-10-3-4-15-6-9(10)14/h1-6H,14H2,(H,15,16)
InChIKeyJCWCEQFBSDNKSJ-UHFFFAOYSA-N
MW362.64 g/mol
LogP2.88
Rot. Bonds3

About N-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide

N-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide (PubChem CID 63062265) has the molecular formula C11H9BrClN3O2S and a molecular weight of 362.64 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide
PubChem CID63062265
Molecular FormulaC11H9BrClN3O2S
Molecular Weight362.64 g/mol
Exact Mass360.93
IUPAC NameN-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide
SMILESNc1cnccc1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H9BrClN3O2S/c12-7-1-2-11(8(13)5-7)19(17,18)16-10-3-4-15-6-9(10)14/h1-6H,14H2,(H,15,16)
InChIKeyJCWCEQFBSDNKSJ-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

N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527254
N-(3-amino-4-pyridinyl)-2-chlorobenzenesulfonamide
CID 55147770
N-(3-amino-4-pyridinyl)-4-bromobenzenesulfonamide
CID 63063291
N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 43259134
4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83165562
4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856694
N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704826
3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 114379639
3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83166228
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
CID 81275585
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 82695339

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide (CID 63062265) is N-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide is Nc1cnccc1NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of N-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide?
The InChIKey is JCWCEQFBSDNKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O2S/c12-7-1-2-11(8(13)5-7)19(17,18)16-10-3-4-15-6-9(10)14/h1-6H,14H2,(H,15,16).
What are the key properties of N-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide?
N-(3-amino-4-pyridinyl)-4-bromo-2-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-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide is sourced from PubChem (CID 63062265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).