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

C10H15BrN2O3S — CID 71911289

IUPAC5-bromo-N-(1-hydroxypentan-3-yl)pyridine-2-sulfonamide
SMILESCCC(CCO)NS(=O)(=O)c1ccc(Br)cn1
InChIInChI=1S/C10H15BrN2O3S/c1-2-9(5-6-14)13-17(15,16)10-4-3-8(11)7-12-10/h3-4,7,9,13-14H,2,5-6H2,1H3
InChIKeyDZEDPJIWHCFRGI-UHFFFAOYSA-N
MW323.21 g/mol
LogP1.28
Rot. Bonds6

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

5-bromo-N-(1-hydroxypentan-3-yl)pyridine-2-sulfonamide (PubChem CID 71911289) has the molecular formula C10H15BrN2O3S and a molecular weight of 323.21 g/mol. Its IUPAC name is 5-bromo-N-(1-hydroxypentan-3-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-hydroxypentan-3-yl)pyridine-2-sulfonamide
PubChem CID71911289
Molecular FormulaC10H15BrN2O3S
Molecular Weight323.21 g/mol
Exact Mass322.00
IUPAC Name5-bromo-N-(1-hydroxypentan-3-yl)pyridine-2-sulfonamide
SMILESCCC(CCO)NS(=O)(=O)c1ccc(Br)cn1
InChIInChI=1S/C10H15BrN2O3S/c1-2-9(5-6-14)13-17(15,16)10-4-3-8(11)7-12-10/h3-4,7,9,13-14H,2,5-6H2,1H3
InChIKeyDZEDPJIWHCFRGI-UHFFFAOYSA-N
XLogP1.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-hydroxypentan-3-yl)pyridine-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1-hydroxypentan-3-yl)pyridine-2-sulfonamide (CID 71911289) is 5-bromo-N-(1-hydroxypentan-3-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-hydroxypentan-3-yl)pyridine-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-hydroxypentan-3-yl)pyridine-2-sulfonamide is CCC(CCO)NS(=O)(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(1-hydroxypentan-3-yl)pyridine-2-sulfonamide?
The InChIKey is DZEDPJIWHCFRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3S/c1-2-9(5-6-14)13-17(15,16)10-4-3-8(11)7-12-10/h3-4,7,9,13-14H,2,5-6H2,1H3.
What are the key properties of 5-bromo-N-(1-hydroxypentan-3-yl)pyridine-2-sulfonamide?
5-bromo-N-(1-hydroxypentan-3-yl)pyridine-2-sulfonamide has a molecular weight of 323.21 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-hydroxypentan-3-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 71911289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).