3-bromo-2-N-(propan-2-ylsulfamoyl)pyridine-2,5-diamine

C8H13BrN4O2S — CID 114804831

IUPAC3-bromo-2-N-(propan-2-ylsulfamoyl)pyridine-2,5-diamine
SMILESCC(C)NS(=O)(=O)Nc1ncc(N)cc1Br
InChIInChI=1S/C8H13BrN4O2S/c1-5(2)12-16(14,15)13-8-7(9)3-6(10)4-11-8/h3-5,12H,10H2,1-2H3,(H,11,13)
InChIKeyDUYXPBRROFCHHJ-UHFFFAOYSA-N
MW309.19 g/mol
LogP1.08
Rot. Bonds4

About 3-bromo-2-N-(propan-2-ylsulfamoyl)pyridine-2,5-diamine

3-bromo-2-N-(propan-2-ylsulfamoyl)pyridine-2,5-diamine (PubChem CID 114804831) has the molecular formula C8H13BrN4O2S and a molecular weight of 309.19 g/mol. Its IUPAC name is 3-bromo-2-N-(propan-2-ylsulfamoyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(propan-2-ylsulfamoyl)pyridine-2,5-diamine
PubChem CID114804831
Molecular FormulaC8H13BrN4O2S
Molecular Weight309.19 g/mol
Exact Mass307.99
IUPAC Name3-bromo-2-N-(propan-2-ylsulfamoyl)pyridine-2,5-diamine
SMILESCC(C)NS(=O)(=O)Nc1ncc(N)cc1Br
InChIInChI=1S/C8H13BrN4O2S/c1-5(2)12-16(14,15)13-8-7(9)3-6(10)4-11-8/h3-5,12H,10H2,1-2H3,(H,11,13)
InChIKeyDUYXPBRROFCHHJ-UHFFFAOYSA-N
XLogP1.08
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(propan-2-ylsulfamoyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(propan-2-ylsulfamoyl)pyridine-2,5-diamine (CID 114804831) is 3-bromo-2-N-(propan-2-ylsulfamoyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(propan-2-ylsulfamoyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(propan-2-ylsulfamoyl)pyridine-2,5-diamine is CC(C)NS(=O)(=O)Nc1ncc(N)cc1Br.
What is the InChIKey of 3-bromo-2-N-(propan-2-ylsulfamoyl)pyridine-2,5-diamine?
The InChIKey is DUYXPBRROFCHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4O2S/c1-5(2)12-16(14,15)13-8-7(9)3-6(10)4-11-8/h3-5,12H,10H2,1-2H3,(H,11,13).
What are the key properties of 3-bromo-2-N-(propan-2-ylsulfamoyl)pyridine-2,5-diamine?
3-bromo-2-N-(propan-2-ylsulfamoyl)pyridine-2,5-diamine has a molecular weight of 309.19 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(propan-2-ylsulfamoyl)pyridine-2,5-diamine is sourced from PubChem (CID 114804831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).