5-bromo-N-(pyridin-4-ylmethyl)pyridine-2-sulfonamide

C11H10BrN3O2S — CID 119094857

IUPAC5-bromo-N-(pyridin-4-ylmethyl)pyridine-2-sulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1ccc(Br)cn1
InChIInChI=1S/C11H10BrN3O2S/c12-10-1-2-11(14-8-10)18(16,17)15-7-9-3-5-13-6-4-9/h1-6,8,15H,7H2
InChIKeySNKVOTXFVROTBQ-UHFFFAOYSA-N
MW328.19 g/mol
LogP1.72
Rot. Bonds4

About 5-bromo-N-(pyridin-4-ylmethyl)pyridine-2-sulfonamide

5-bromo-N-(pyridin-4-ylmethyl)pyridine-2-sulfonamide (PubChem CID 119094857) has the molecular formula C11H10BrN3O2S and a molecular weight of 328.19 g/mol. Its IUPAC name is 5-bromo-N-(pyridin-4-ylmethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(pyridin-4-ylmethyl)pyridine-2-sulfonamide
PubChem CID119094857
Molecular FormulaC11H10BrN3O2S
Molecular Weight328.19 g/mol
Exact Mass326.97
IUPAC Name5-bromo-N-(pyridin-4-ylmethyl)pyridine-2-sulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1ccc(Br)cn1
InChIInChI=1S/C11H10BrN3O2S/c12-10-1-2-11(14-8-10)18(16,17)15-7-9-3-5-13-6-4-9/h1-6,8,15H,7H2
InChIKeySNKVOTXFVROTBQ-UHFFFAOYSA-N
XLogP1.72
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165646
N-benzyl-5-methylpyridine-2-sulfonamide
CID 46201274
5-bromo-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-2-sulfonamide
CID 118292937
3-bromo-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61073398
ethyl 2-[(5-bromo-2-pyridinyl)sulfonylamino]acetate
CID 118092805
5-amino-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
CID 82055523
N-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide
CID 20958647
2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 60823464
3-amino-4-bromo-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 115328707
5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide
CID 97217875
6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid
CID 63872025
1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 19683256

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(pyridin-4-ylmethyl)pyridine-2-sulfonamide?
The IUPAC name of 5-bromo-N-(pyridin-4-ylmethyl)pyridine-2-sulfonamide (CID 119094857) is 5-bromo-N-(pyridin-4-ylmethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(pyridin-4-ylmethyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(pyridin-4-ylmethyl)pyridine-2-sulfonamide is O=S(=O)(NCc1ccncc1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(pyridin-4-ylmethyl)pyridine-2-sulfonamide?
The InChIKey is SNKVOTXFVROTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2S/c12-10-1-2-11(14-8-10)18(16,17)15-7-9-3-5-13-6-4-9/h1-6,8,15H,7H2.
What are the key properties of 5-bromo-N-(pyridin-4-ylmethyl)pyridine-2-sulfonamide?
5-bromo-N-(pyridin-4-ylmethyl)pyridine-2-sulfonamide has a molecular weight of 328.19 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(pyridin-4-ylmethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 119094857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).