5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide

C11H15BrN2O2S — CID 103697703

IUPAC5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)(NS(=O)(=O)c1cncc(Br)c1)C1CC1
InChIInChI=1S/C11H15BrN2O2S/c1-11(2,8-3-4-8)14-17(15,16)10-5-9(12)6-13-7-10/h5-8,14H,3-4H2,1-2H3
InChIKeyIKPMDNHJCNUUEH-UHFFFAOYSA-N
MW319.22 g/mol
LogP2.31
Rot. Bonds4

About 5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide

5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide (PubChem CID 103697703) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide
PubChem CID103697703
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)(NS(=O)(=O)c1cncc(Br)c1)C1CC1
InChIInChI=1S/C11H15BrN2O2S/c1-11(2,8-3-4-8)14-17(15,16)10-5-9(12)6-13-7-10/h5-8,14H,3-4H2,1-2H3
InChIKeyIKPMDNHJCNUUEH-UHFFFAOYSA-N
XLogP2.31
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
CID 103697730
4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid
CID 62043738
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64557037
N-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 103697702
5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 115596600
4-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
CID 114110390
5-bromo-N-piperidin-1-ylpyridine-3-sulfonamide
CID 83023056
2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
CID 103697721
5-bromo-N-(thiolan-3-yl)pyridine-3-sulfonamide
CID 103697980
5-bromo-N-ethoxypyridine-3-sulfonamide
CID 64973872
5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 76848572

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide (CID 103697703) is 5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide is CC(C)(NS(=O)(=O)c1cncc(Br)c1)C1CC1.
What is the InChIKey of 5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is IKPMDNHJCNUUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-11(2,8-3-4-8)14-17(15,16)10-5-9(12)6-13-7-10/h5-8,14H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide?
5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 319.22 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 103697703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).