5-propan-2-ylpyridine-2-sulfonyl chloride

C8H10ClNO2S — CID 22281918

IUPAC5-propan-2-ylpyridine-2-sulfonyl chloride
SMILESCC(C)c1ccc(S(=O)(=O)Cl)nc1
InChIInChI=1S/C8H10ClNO2S/c1-6(2)7-3-4-8(10-5-7)13(9,11)12/h3-6H,1-2H3
InChIKeyJSBVVLSVARQKMS-UHFFFAOYSA-N
MW219.69 g/mol
LogP2.13
Rot. Bonds2

About 5-propan-2-ylpyridine-2-sulfonyl chloride

5-propan-2-ylpyridine-2-sulfonyl chloride (PubChem CID 22281918) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 5-propan-2-ylpyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-propan-2-ylpyridine-2-sulfonyl chloride
PubChem CID22281918
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name5-propan-2-ylpyridine-2-sulfonyl chloride
SMILESCC(C)c1ccc(S(=O)(=O)Cl)nc1
InChIInChI=1S/C8H10ClNO2S/c1-6(2)7-3-4-8(10-5-7)13(9,11)12/h3-6H,1-2H3
InChIKeyJSBVVLSVARQKMS-UHFFFAOYSA-N
XLogP2.13
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylpyridine-2-sulfonyl chloride?
The IUPAC name of 5-propan-2-ylpyridine-2-sulfonyl chloride (CID 22281918) is 5-propan-2-ylpyridine-2-sulfonyl chloride.
What is the SMILES notation for 5-propan-2-ylpyridine-2-sulfonyl chloride?
The canonical SMILES for 5-propan-2-ylpyridine-2-sulfonyl chloride is CC(C)c1ccc(S(=O)(=O)Cl)nc1.
What is the InChIKey of 5-propan-2-ylpyridine-2-sulfonyl chloride?
The InChIKey is JSBVVLSVARQKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-6(2)7-3-4-8(10-5-7)13(9,11)12/h3-6H,1-2H3.
What are the key properties of 5-propan-2-ylpyridine-2-sulfonyl chloride?
5-propan-2-ylpyridine-2-sulfonyl chloride has a molecular weight of 219.69 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylpyridine-2-sulfonyl chloride is sourced from PubChem (CID 22281918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).