5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide

C12H13BrN4O2S — CID 106070858

IUPAC5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(CN)cn2)ncc1Br
InChIInChI=1S/C12H13BrN4O2S/c1-8-4-11(15-7-10(8)13)17-20(18,19)12-3-2-9(5-14)6-16-12/h2-4,6-7H,5,14H2,1H3,(H,15,17)
InChIKeyWWHLGVFGCXPUNK-UHFFFAOYSA-N
MW357.23 g/mol
LogP1.81
Rot. Bonds4

About 5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide

5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide (PubChem CID 106070858) has the molecular formula C12H13BrN4O2S and a molecular weight of 357.23 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide
PubChem CID106070858
Molecular FormulaC12H13BrN4O2S
Molecular Weight357.23 g/mol
Exact Mass355.99
IUPAC Name5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(CN)cn2)ncc1Br
InChIInChI=1S/C12H13BrN4O2S/c1-8-4-11(15-7-10(8)13)17-20(18,19)12-3-2-9(5-14)6-16-12/h2-4,6-7H,5,14H2,1H3,(H,15,17)
InChIKeyWWHLGVFGCXPUNK-UHFFFAOYSA-N
XLogP1.81
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide
CID 106002333
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 106070814
1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide
CID 106070788
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 106070845
5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide
CID 106087539
5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide
CID 106087059
3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 106070860
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide
CID 106070785
5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide
CID 106087649
5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 79729691
2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
CID 79729131
5-(aminomethyl)-N-(2,4,5-trichlorophenyl)pyridine-2-sulfonamide
CID 106057739

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide (CID 106070858) is 5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc(CN)cn2)ncc1Br.
What is the InChIKey of 5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide?
The InChIKey is WWHLGVFGCXPUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2S/c1-8-4-11(15-7-10(8)13)17-20(18,19)12-3-2-9(5-14)6-16-12/h2-4,6-7H,5,14H2,1H3,(H,15,17).
What are the key properties of 5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide?
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide has a molecular weight of 357.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106070858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).