5-propan-2-yloxyquinoline-8-sulfonyl chloride

C12H12ClNO3S — CID 103044636

IUPAC5-propan-2-yloxyquinoline-8-sulfonyl chloride
SMILESCC(C)Oc1ccc(S(=O)(=O)Cl)c2ncccc12
InChIInChI=1S/C12H12ClNO3S/c1-8(2)17-10-5-6-11(18(13,15)16)12-9(10)4-3-7-14-12/h3-8H,1-2H3
InChIKeyDUNCOAPEJKGQQS-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.95
Rot. Bonds3

About 5-propan-2-yloxyquinoline-8-sulfonyl chloride

5-propan-2-yloxyquinoline-8-sulfonyl chloride (PubChem CID 103044636) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is 5-propan-2-yloxyquinoline-8-sulfonyl chloride.

Molecular Properties

Compound Name5-propan-2-yloxyquinoline-8-sulfonyl chloride
PubChem CID103044636
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC Name5-propan-2-yloxyquinoline-8-sulfonyl chloride
SMILESCC(C)Oc1ccc(S(=O)(=O)Cl)c2ncccc12
InChIInChI=1S/C12H12ClNO3S/c1-8(2)17-10-5-6-11(18(13,15)16)12-9(10)4-3-7-14-12/h3-8H,1-2H3
InChIKeyDUNCOAPEJKGQQS-UHFFFAOYSA-N
XLogP2.95
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxyquinoline-8-sulfonyl chloride?
The IUPAC name of 5-propan-2-yloxyquinoline-8-sulfonyl chloride (CID 103044636) is 5-propan-2-yloxyquinoline-8-sulfonyl chloride.
What is the SMILES notation for 5-propan-2-yloxyquinoline-8-sulfonyl chloride?
The canonical SMILES for 5-propan-2-yloxyquinoline-8-sulfonyl chloride is CC(C)Oc1ccc(S(=O)(=O)Cl)c2ncccc12.
What is the InChIKey of 5-propan-2-yloxyquinoline-8-sulfonyl chloride?
The InChIKey is DUNCOAPEJKGQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S/c1-8(2)17-10-5-6-11(18(13,15)16)12-9(10)4-3-7-14-12/h3-8H,1-2H3.
What are the key properties of 5-propan-2-yloxyquinoline-8-sulfonyl chloride?
5-propan-2-yloxyquinoline-8-sulfonyl chloride has a molecular weight of 285.75 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxyquinoline-8-sulfonyl chloride is sourced from PubChem (CID 103044636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).