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

C9H14BrN3O2S — CID 102820721

IUPAC4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine
SMILESCC(C)CNS(=O)(=O)Nc1cc(Br)ccn1
InChIInChI=1S/C9H14BrN3O2S/c1-7(2)6-12-16(14,15)13-9-5-8(10)3-4-11-9/h3-5,7,12H,6H2,1-2H3,(H,11,13)
InChIKeyOFVIUZBTLQGRML-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.75
Rot. Bonds5

About 4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine

4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine (PubChem CID 102820721) has the molecular formula C9H14BrN3O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is 4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine.

Molecular Properties

Compound Name4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine
PubChem CID102820721
Molecular FormulaC9H14BrN3O2S
Molecular Weight308.20 g/mol
Exact Mass307.00
IUPAC Name4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine
SMILESCC(C)CNS(=O)(=O)Nc1cc(Br)ccn1
InChIInChI=1S/C9H14BrN3O2S/c1-7(2)6-12-16(14,15)13-9-5-8(10)3-4-11-9/h3-5,7,12H,6H2,1-2H3,(H,11,13)
InChIKeyOFVIUZBTLQGRML-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

2-Amino-5-bromopyridine
CID 70622
N,N-dimethyl-N'-(2-pyridinyl)sulfamide
CID 304350
N-(pyridin-2-yl)methanesulfonamide
CID 2831904
2-Amino-5-bromo-4-methylpyridine
CID 817695
1-(5-Bromopyridin-2-yl)-3-butylurea
CID 2103155
2-Amino-4-bromopyridine
CID 693282
2-Amino-3-bromopyridine
CID 817700
N-(5-Bromo-pyridin-2-yl)-guanidine
CID 10262708
2-Amino-N-2-pyridinylethanesulfonamide
CID 198103
5-bromo-N,N-dimethylpyridin-2-amine
CID 3803041
5-Bromo-N-methylpyridin-2-amine
CID 15645663
4-bromo-N,N-dimethylpyridin-2-amine
CID 23436935

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine?
The IUPAC name of 4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine (CID 102820721) is 4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine.
What is the SMILES notation for 4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine?
The canonical SMILES for 4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine is CC(C)CNS(=O)(=O)Nc1cc(Br)ccn1.
What is the InChIKey of 4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine?
The InChIKey is OFVIUZBTLQGRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S/c1-7(2)6-12-16(14,15)13-9-5-8(10)3-4-11-9/h3-5,7,12H,6H2,1-2H3,(H,11,13).
What are the key properties of 4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine?
4-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 4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine is sourced from PubChem (CID 102820721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).