5-bromo-N-[(2R)-4-hydroxybutan-2-yl]pyridine-2-sulfonamide

C9H13BrN2O3S — CID 75390385

IUPAC5-bromo-N-[(2R)-4-hydroxybutan-2-yl]pyridine-2-sulfonamide
SMILESC[C@H](CCO)NS(=O)(=O)c1ccc(Br)cn1
InChIInChI=1S/C9H13BrN2O3S/c1-7(4-5-13)12-16(14,15)9-3-2-8(10)6-11-9/h2-3,6-7,12-13H,4-5H2,1H3/t7-/m1/s1
InChIKeyYMQUATIMYGVLMI-SSDOTTSWSA-N
MW309.19 g/mol
LogP0.89
Rot. Bonds5

About 5-bromo-N-[(2R)-4-hydroxybutan-2-yl]pyridine-2-sulfonamide

5-bromo-N-[(2R)-4-hydroxybutan-2-yl]pyridine-2-sulfonamide (PubChem CID 75390385) has the molecular formula C9H13BrN2O3S and a molecular weight of 309.19 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-4-hydroxybutan-2-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-4-hydroxybutan-2-yl]pyridine-2-sulfonamide
PubChem CID75390385
Molecular FormulaC9H13BrN2O3S
Molecular Weight309.19 g/mol
Exact Mass307.98
IUPAC Name5-bromo-N-[(2R)-4-hydroxybutan-2-yl]pyridine-2-sulfonamide
SMILESC[C@H](CCO)NS(=O)(=O)c1ccc(Br)cn1
InChIInChI=1S/C9H13BrN2O3S/c1-7(4-5-13)12-16(14,15)9-3-2-8(10)6-11-9/h2-3,6-7,12-13H,4-5H2,1H3/t7-/m1/s1
InChIKeyYMQUATIMYGVLMI-SSDOTTSWSA-N
XLogP0.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-4-hydroxybutan-2-yl]pyridine-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(2R)-4-hydroxybutan-2-yl]pyridine-2-sulfonamide (CID 75390385) is 5-bromo-N-[(2R)-4-hydroxybutan-2-yl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(2R)-4-hydroxybutan-2-yl]pyridine-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(2R)-4-hydroxybutan-2-yl]pyridine-2-sulfonamide is C[C@H](CCO)NS(=O)(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(2R)-4-hydroxybutan-2-yl]pyridine-2-sulfonamide?
The InChIKey is YMQUATIMYGVLMI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13BrN2O3S/c1-7(4-5-13)12-16(14,15)9-3-2-8(10)6-11-9/h2-3,6-7,12-13H,4-5H2,1H3/t7-/m1/s1.
What are the key properties of 5-bromo-N-[(2R)-4-hydroxybutan-2-yl]pyridine-2-sulfonamide?
5-bromo-N-[(2R)-4-hydroxybutan-2-yl]pyridine-2-sulfonamide has a molecular weight of 309.19 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-4-hydroxybutan-2-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 75390385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).