6-propan-2-yloxypyridine-3-sulfonyl chloride

C8H10ClNO3S — CID 55279353

IUPAC6-propan-2-yloxypyridine-3-sulfonyl chloride
SMILESCC(C)Oc1ccc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C8H10ClNO3S/c1-6(2)13-8-4-3-7(5-10-8)14(9,11)12/h3-6H,1-2H3
InChIKeyDQHASNBEFLVLRA-UHFFFAOYSA-N
MW235.69 g/mol
LogP1.80
Rot. Bonds3

About 6-propan-2-yloxypyridine-3-sulfonyl chloride

6-propan-2-yloxypyridine-3-sulfonyl chloride (PubChem CID 55279353) has the molecular formula C8H10ClNO3S and a molecular weight of 235.69 g/mol. Its IUPAC name is 6-propan-2-yloxypyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-propan-2-yloxypyridine-3-sulfonyl chloride
PubChem CID55279353
Molecular FormulaC8H10ClNO3S
Molecular Weight235.69 g/mol
Exact Mass235.01
IUPAC Name6-propan-2-yloxypyridine-3-sulfonyl chloride
SMILESCC(C)Oc1ccc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C8H10ClNO3S/c1-6(2)13-8-4-3-7(5-10-8)14(9,11)12/h3-6H,1-2H3
InChIKeyDQHASNBEFLVLRA-UHFFFAOYSA-N
XLogP1.80
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxypyridine-3-sulfonyl chloride?
The IUPAC name of 6-propan-2-yloxypyridine-3-sulfonyl chloride (CID 55279353) is 6-propan-2-yloxypyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-propan-2-yloxypyridine-3-sulfonyl chloride?
The canonical SMILES for 6-propan-2-yloxypyridine-3-sulfonyl chloride is CC(C)Oc1ccc(S(=O)(=O)Cl)cn1.
What is the InChIKey of 6-propan-2-yloxypyridine-3-sulfonyl chloride?
The InChIKey is DQHASNBEFLVLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3S/c1-6(2)13-8-4-3-7(5-10-8)14(9,11)12/h3-6H,1-2H3.
What are the key properties of 6-propan-2-yloxypyridine-3-sulfonyl chloride?
6-propan-2-yloxypyridine-3-sulfonyl chloride has a molecular weight of 235.69 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxypyridine-3-sulfonyl chloride is sourced from PubChem (CID 55279353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).