pyridine-3-sulfonyl chloride

C5H4ClNO2S — CID 3164136

IUPACpyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccnc1
InChIInChI=1S/C5H4ClNO2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H
InChIKeyCDRNYKLYADJTMN-UHFFFAOYSA-N
MW177.61 g/mol
LogP1.01
Rot. Bonds1

About pyridine-3-sulfonyl chloride

pyridine-3-sulfonyl chloride (PubChem CID 3164136) has the molecular formula C5H4ClNO2S and a molecular weight of 177.61 g/mol. Its IUPAC name is pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Namepyridine-3-sulfonyl chloride
PubChem CID3164136
Molecular FormulaC5H4ClNO2S
Molecular Weight177.61 g/mol
Exact Mass176.97
IUPAC Namepyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccnc1
InChIInChI=1S/C5H4ClNO2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H
InChIKeyCDRNYKLYADJTMN-UHFFFAOYSA-N
XLogP1.01
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.61
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyridine
CID 1049
3-Pyridinesulfonic acid
CID 69468
Pyridine-D5
CID 558519
3-(Ethylsulfonyl)pyridine-2-sulfonamide
CID 164047
3-(1-Pyridinio)-1-propanesulfonate
CID 84929
4-Pyridineethanesulfonic acid
CID 96722
Pyridinium chloride
CID 10176127
2-Pyridinesulfonic acid
CID 94849
6-Chloro-N,N-diethylpyridine-3-sulfonamide
CID 2433226
1-Butylpyridinium triflate
CID 2734248
2-Pyridineethanesulfonic acid
CID 96724
CID 160123
CID 160123

Frequently Asked Questions

What is the IUPAC name of pyridine-3-sulfonyl chloride?
The IUPAC name of pyridine-3-sulfonyl chloride (CID 3164136) is pyridine-3-sulfonyl chloride.
What is the SMILES notation for pyridine-3-sulfonyl chloride?
The canonical SMILES for pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cccnc1.
What is the InChIKey of pyridine-3-sulfonyl chloride?
The InChIKey is CDRNYKLYADJTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H.
What are the key properties of pyridine-3-sulfonyl chloride?
pyridine-3-sulfonyl chloride has a molecular weight of 177.61 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-3-sulfonyl chloride is sourced from PubChem (CID 3164136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).