N-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide

C13H14BrN3O2S — CID 63229538

IUPACN-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide
SMILESCCN(c1cccc(N)c1)S(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C13H14BrN3O2S/c1-2-17(12-5-3-4-11(15)7-12)20(18,19)13-6-10(14)8-16-9-13/h3-9H,2,15H2,1H3
InChIKeyQYYGXQGDPLPIHK-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.64
Rot. Bonds4

About N-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide

N-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide (PubChem CID 63229538) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is N-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide
PubChem CID63229538
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC NameN-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide
SMILESCCN(c1cccc(N)c1)S(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C13H14BrN3O2S/c1-2-17(12-5-3-4-11(15)7-12)20(18,19)13-6-10(14)8-16-9-13/h3-9H,2,15H2,1H3
InChIKeyQYYGXQGDPLPIHK-UHFFFAOYSA-N
XLogP2.64
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminophenyl)-N-ethyl-5-fluoropyridine-3-sulfonamide
CID 63229539
N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63229929
N-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide
CID 63229626
3-N-[(5-bromo-3-pyridinyl)methyl]-3-N-ethylbenzene-1,3-diamine
CID 113454392
N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502316
N-(3-aminophenyl)-N-ethylbutane-1-sulfonamide
CID 63229885
N-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide
CID 61297692
N-(4-aminophenyl)-4-bromo-N-ethylbenzenesulfonamide
CID 63233827
5-bromo-N-methyl-N-propylpyridine-3-sulfonamide
CID 55207622
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide
CID 79667609
N-(3-aminophenyl)-N-ethyl-2-methoxyethanesulfonamide
CID 55174195
4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 60639715

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide?
The IUPAC name of N-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide (CID 63229538) is N-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide?
The canonical SMILES for N-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide is CCN(c1cccc(N)c1)S(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of N-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide?
The InChIKey is QYYGXQGDPLPIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-2-17(12-5-3-4-11(15)7-12)20(18,19)13-6-10(14)8-16-9-13/h3-9H,2,15H2,1H3.
What are the key properties of N-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide?
N-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide has a molecular weight of 356.25 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide is sourced from PubChem (CID 63229538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).