2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide

C12H18BrN3O2S — CID 63994409

IUPAC2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H18BrN3O2S/c1-2-10(5-8-3-4-8)16-19(17,18)11-6-9(13)7-15-12(11)14/h6-8,10,16H,2-5H2,1H3,(H2,14,15)
InChIKeyYVSVMAYIGPJGCR-UHFFFAOYSA-N
MW348.27 g/mol
LogP2.28
Rot. Bonds6

About 2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide (PubChem CID 63994409) has the molecular formula C12H18BrN3O2S and a molecular weight of 348.27 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide
PubChem CID63994409
Molecular FormulaC12H18BrN3O2S
Molecular Weight348.27 g/mol
Exact Mass347.03
IUPAC Name2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H18BrN3O2S/c1-2-10(5-8-3-4-8)16-19(17,18)11-6-9(13)7-15-12(11)14/h6-8,10,16H,2-5H2,1H3,(H2,14,15)
InChIKeyYVSVMAYIGPJGCR-UHFFFAOYSA-N
XLogP2.28
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide (CID 63994409) is 2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide is CCC(CC1CC1)NS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is YVSVMAYIGPJGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2S/c1-2-10(5-8-3-4-8)16-19(17,18)11-6-9(13)7-15-12(11)14/h6-8,10,16H,2-5H2,1H3,(H2,14,15).
What are the key properties of 2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 348.27 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 63994409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).