3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide

C13H13BrFN3O2S — CID 106071278

IUPAC3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Br)cc(CN)c2F)ccn1
InChIInChI=1S/C13H13BrFN3O2S/c1-8-4-11(2-3-17-8)18-21(19,20)12-6-10(14)5-9(7-16)13(12)15/h2-6H,7,16H2,1H3,(H,17,18)
InChIKeyXFULSVMIHUHRFT-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.55
Rot. Bonds4

About 3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide

3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 106071278) has the molecular formula C13H13BrFN3O2S and a molecular weight of 374.24 g/mol. Its IUPAC name is 3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID106071278
Molecular FormulaC13H13BrFN3O2S
Molecular Weight374.24 g/mol
Exact Mass372.99
IUPAC Name3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Br)cc(CN)c2F)ccn1
InChIInChI=1S/C13H13BrFN3O2S/c1-8-4-11(2-3-17-8)18-21(19,20)12-6-10(14)5-9(7-16)13(12)15/h2-6H,7,16H2,1H3,(H,17,18)
InChIKeyXFULSVMIHUHRFT-UHFFFAOYSA-N
XLogP2.55
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide 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

3-(aminomethyl)-5-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 106073213
5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071279
5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071273
2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955831
5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955910
3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071272
5-(aminomethyl)-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
CID 79240386
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887
3-(aminomethyl)-5-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 106085043
2-hydrazinyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240880
3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 106080886
3-(aminomethyl)-5-bromo-2-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283753

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide (CID 106071278) is 3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(Br)cc(CN)c2F)ccn1.
What is the InChIKey of 3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is XFULSVMIHUHRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O2S/c1-8-4-11(2-3-17-8)18-21(19,20)12-6-10(14)5-9(7-16)13(12)15/h2-6H,7,16H2,1H3,(H,17,18).
What are the key properties of 3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide has a molecular weight of 374.24 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 106071278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).