5-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine

C9H14BrN3O2S — CID 114815452

IUPAC5-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine
SMILESCC(C)CNS(=O)(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C9H14BrN3O2S/c1-7(2)5-12-16(14,15)13-9-4-3-8(10)6-11-9/h3-4,6-7,12H,5H2,1-2H3,(H,11,13)
InChIKeyXMQLIWVOHJQVCZ-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.75
Rot. Bonds5

About 5-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine

5-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine (PubChem CID 114815452) has the molecular formula C9H14BrN3O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is 5-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine
PubChem CID114815452
Molecular FormulaC9H14BrN3O2S
Molecular Weight308.20 g/mol
Exact Mass307.00
IUPAC Name5-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine
SMILESCC(C)CNS(=O)(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C9H14BrN3O2S/c1-7(2)5-12-16(14,15)13-9-4-3-8(10)6-11-9/h3-4,6-7,12H,5H2,1-2H3,(H,11,13)
InChIKeyXMQLIWVOHJQVCZ-UHFFFAOYSA-N
XLogP1.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine
CID 102820721
N-(5-bromo-2-pyridinyl)methanesulfonamide
CID 790872
N-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106020370
3-bromo-N-(2-methylpropylsulfamoyl)aniline
CID 114815403
4-bromo-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 3811085
4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 43114385
5-bromo-N-(2,3-dimethylbutyl)pyridin-2-amine
CID 64597766
1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide
CID 43256634
N-(5-bromo-2-pyridinyl)-1-(3-fluorophenyl)methanesulfonamide
CID 71920939
N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877
2-(dimethylsulfamoylamino)-5-(2-methylpropylamino)pyridine
CID 113024164
3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline
CID 107640767

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine (CID 114815452) is 5-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine is CC(C)CNS(=O)(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine?
The InChIKey is XMQLIWVOHJQVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S/c1-7(2)5-12-16(14,15)13-9-4-3-8(10)6-11-9/h3-4,6-7,12H,5H2,1-2H3,(H,11,13).
What are the key properties of 5-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine?
5-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine has a molecular weight of 308.20 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine is sourced from PubChem (CID 114815452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).