5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide

C13H13Br2N3O2S — CID 106002333

IUPAC5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2ccc(CN)cn2)c(Br)c1
InChIInChI=1S/C13H13Br2N3O2S/c1-8-4-10(14)13(11(15)5-8)18-21(19,20)12-3-2-9(6-16)7-17-12/h2-5,7,18H,6,16H2,1H3
InChIKeyCAXFXUDJBBXICF-UHFFFAOYSA-N
MW435.14 g/mol
LogP3.17
Rot. Bonds4

About 5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide

5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide (PubChem CID 106002333) has the molecular formula C13H13Br2N3O2S and a molecular weight of 435.14 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide
PubChem CID106002333
Molecular FormulaC13H13Br2N3O2S
Molecular Weight435.14 g/mol
Exact Mass432.91
IUPAC Name5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2ccc(CN)cn2)c(Br)c1
InChIInChI=1S/C13H13Br2N3O2S/c1-8-4-10(14)13(11(15)5-8)18-21(19,20)12-3-2-9(6-16)7-17-12/h2-5,7,18H,6,16H2,1H3
InChIKeyCAXFXUDJBBXICF-UHFFFAOYSA-N
XLogP3.17
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.14
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 106070858
5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide
CID 106087059
5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide
CID 106087649
5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide
CID 106087539
5-(aminomethyl)-N-(2,4,5-trichlorophenyl)pyridine-2-sulfonamide
CID 106057739
5-(aminomethyl)-N-(2-chloro-6-fluorophenyl)pyridine-2-sulfonamide
CID 106083674
5-(aminomethyl)-N-(3-iodophenyl)pyridine-2-sulfonamide
CID 106029529
5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
CID 106001955
5-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-2-sulfonamide
CID 106002921
5-(aminomethyl)-N-(2-ethoxyethyl)pyridine-2-sulfonamide
CID 106020136
5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
CID 106002359
2-amino-N-(2,6-dibromo-4-methylphenyl)pyridine-3-sulfonamide
CID 62145114

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide (CID 106002333) is 5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide is Cc1cc(Br)c(NS(=O)(=O)c2ccc(CN)cn2)c(Br)c1.
What is the InChIKey of 5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide?
The InChIKey is CAXFXUDJBBXICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3O2S/c1-8-4-10(14)13(11(15)5-8)18-21(19,20)12-3-2-9(6-16)7-17-12/h2-5,7,18H,6,16H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide?
5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide has a molecular weight of 435.14 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106002333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).