5-bromo-N-(thiolan-3-yl)pyridine-3-sulfonamide

C9H11BrN2O2S2 — CID 103697980

IUPAC5-bromo-N-(thiolan-3-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCSC1)c1cncc(Br)c1
InChIInChI=1S/C9H11BrN2O2S2/c10-7-3-9(5-11-4-7)16(13,14)12-8-1-2-15-6-8/h3-5,8,12H,1-2,6H2
InChIKeyURVQGYVXPDLXOD-UHFFFAOYSA-N
MW323.24 g/mol
LogP1.63
Rot. Bonds3

About 5-bromo-N-(thiolan-3-yl)pyridine-3-sulfonamide

5-bromo-N-(thiolan-3-yl)pyridine-3-sulfonamide (PubChem CID 103697980) has the molecular formula C9H11BrN2O2S2 and a molecular weight of 323.24 g/mol. Its IUPAC name is 5-bromo-N-(thiolan-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(thiolan-3-yl)pyridine-3-sulfonamide
PubChem CID103697980
Molecular FormulaC9H11BrN2O2S2
Molecular Weight323.24 g/mol
Exact Mass321.94
IUPAC Name5-bromo-N-(thiolan-3-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCSC1)c1cncc(Br)c1
InChIInChI=1S/C9H11BrN2O2S2/c10-7-3-9(5-11-4-7)16(13,14)12-8-1-2-15-6-8/h3-5,8,12H,1-2,6H2
InChIKeyURVQGYVXPDLXOD-UHFFFAOYSA-N
XLogP1.63
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63042579
4-hydroxy-N-(thiolan-3-yl)benzenesulfonamide
CID 103063928
2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide
CID 103062283
5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide
CID 113249327
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide
CID 103698000
5-bromo-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 62094279
2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 106492192
5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide
CID 103739670
4-acetyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103697977
5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide
CID 103697703
N-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride
CID 120582741

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(thiolan-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(thiolan-3-yl)pyridine-3-sulfonamide (CID 103697980) is 5-bromo-N-(thiolan-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(thiolan-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(thiolan-3-yl)pyridine-3-sulfonamide is O=S(=O)(NC1CCSC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(thiolan-3-yl)pyridine-3-sulfonamide?
The InChIKey is URVQGYVXPDLXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2S2/c10-7-3-9(5-11-4-7)16(13,14)12-8-1-2-15-6-8/h3-5,8,12H,1-2,6H2.
What are the key properties of 5-bromo-N-(thiolan-3-yl)pyridine-3-sulfonamide?
5-bromo-N-(thiolan-3-yl)pyridine-3-sulfonamide has a molecular weight of 323.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(thiolan-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 103697980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).