3-(aminomethyl)-5-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide

C13H13BrFN3O2S — CID 106073213

IUPAC3-(aminomethyl)-5-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Br)cc(CN)c2F)cn1
InChIInChI=1S/C13H13BrFN3O2S/c1-8-2-3-11(7-17-8)18-21(19,20)12-5-10(14)4-9(6-16)13(12)15/h2-5,7,18H,6,16H2,1H3
InChIKeyIZABIZYQEQBDMQ-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.55
Rot. Bonds4

About 3-(aminomethyl)-5-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide

3-(aminomethyl)-5-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 106073213) 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-(6-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID106073213
Molecular FormulaC13H13BrFN3O2S
Molecular Weight374.24 g/mol
Exact Mass372.99
IUPAC Name3-(aminomethyl)-5-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Br)cc(CN)c2F)cn1
InChIInChI=1S/C13H13BrFN3O2S/c1-8-2-3-11(7-17-8)18-21(19,20)12-5-10(14)4-9(6-16)13(12)15/h2-5,7,18H,6,16H2,1H3
InChIKeyIZABIZYQEQBDMQ-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

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Related Compounds

3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071278
4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 116528754
2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 81495216
4-(aminomethyl)-2-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 106997067
2-(aminomethyl)-N-(6-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 106594765
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
N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide
CID 60792229
3-(aminomethyl)-5-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 106085043
2-(aminomethyl)-5-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061701
5-bromo-2-fluoro-3-(methylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 106070077
3-(aminomethyl)-5-methyl-N-(6-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 106073270

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-5-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide (CID 106073213) is 3-(aminomethyl)-5-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(Br)cc(CN)c2F)cn1.
What is the InChIKey of 3-(aminomethyl)-5-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is IZABIZYQEQBDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O2S/c1-8-2-3-11(7-17-8)18-21(19,20)12-5-10(14)4-9(6-16)13(12)15/h2-5,7,18H,6,16H2,1H3.
What are the key properties of 3-(aminomethyl)-5-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
3-(aminomethyl)-5-bromo-2-fluoro-N-(6-methyl-3-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-(6-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 106073213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).