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

C11H9BrFN3O2S — CID 82843664

IUPAC4-amino-N-(3-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ncccc2Br)cc1F
InChIInChI=1S/C11H9BrFN3O2S/c12-8-2-1-5-15-11(8)16-19(17,18)7-3-4-10(14)9(13)6-7/h1-6H,14H2,(H,15,16)
InChIKeyRHRKKBYLJQRMLP-UHFFFAOYSA-N
MW346.18 g/mol
LogP2.37
Rot. Bonds3

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

4-amino-N-(3-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide (PubChem CID 82843664) has the molecular formula C11H9BrFN3O2S and a molecular weight of 346.18 g/mol. Its IUPAC name is 4-amino-N-(3-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide
PubChem CID82843664
Molecular FormulaC11H9BrFN3O2S
Molecular Weight346.18 g/mol
Exact Mass344.96
IUPAC Name4-amino-N-(3-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ncccc2Br)cc1F
InChIInChI=1S/C11H9BrFN3O2S/c12-8-2-1-5-15-11(8)16-19(17,18)7-3-4-10(14)9(13)6-7/h1-6H,14H2,(H,15,16)
InChIKeyRHRKKBYLJQRMLP-UHFFFAOYSA-N
XLogP2.37
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 116530437
3-amino-N-(3-bromo-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421695
3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide
CID 106062235
4-amino-N-(3-bromo-4-pyridinyl)-3-fluorobenzenesulfonamide
CID 82844736
3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide
CID 103093961
4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide
CID 106062257
4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide
CID 82843706
N-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106062209
N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide
CID 106062122
4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 82844573
4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 103709774
4-amino-3-fluoro-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 82844259

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(3-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide (CID 82843664) is 4-amino-N-(3-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ncccc2Br)cc1F.
What is the InChIKey of 4-amino-N-(3-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide?
The InChIKey is RHRKKBYLJQRMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O2S/c12-8-2-1-5-15-11(8)16-19(17,18)7-3-4-10(14)9(13)6-7/h1-6H,14H2,(H,15,16).
What are the key properties of 4-amino-N-(3-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide?
4-amino-N-(3-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide has a molecular weight of 346.18 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 82843664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).