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

C12H12ClNO3S — CID 43115660

IUPAC8-propan-2-yloxyquinoline-5-sulfonyl chloride
SMILESCC(C)Oc1ccc(S(=O)(=O)Cl)c2cccnc12
InChIInChI=1S/C12H12ClNO3S/c1-8(2)17-10-5-6-11(18(13,15)16)9-4-3-7-14-12(9)10/h3-8H,1-2H3
InChIKeyRFSDJBFYIMWSAU-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.95
Rot. Bonds3

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

8-propan-2-yloxyquinoline-5-sulfonyl chloride (PubChem CID 43115660) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is 8-propan-2-yloxyquinoline-5-sulfonyl chloride.

Molecular Properties

Compound Name8-propan-2-yloxyquinoline-5-sulfonyl chloride
PubChem CID43115660
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC Name8-propan-2-yloxyquinoline-5-sulfonyl chloride
SMILESCC(C)Oc1ccc(S(=O)(=O)Cl)c2cccnc12
InChIInChI=1S/C12H12ClNO3S/c1-8(2)17-10-5-6-11(18(13,15)16)9-4-3-7-14-12(9)10/h3-8H,1-2H3
InChIKeyRFSDJBFYIMWSAU-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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Related Compounds

8-(1-cyanopropoxy)quinoline-5-sulfonyl chloride
CID 82910374
5-propan-2-yloxyquinoline-8-sulfonamide
CID 103045315
8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride
CID 65176470
3-(5-chlorosulfonylquinolin-8-yl)oxypropanoic acid
CID 43115657
5-(4-methylpentoxy)quinoline-8-sulfonyl chloride
CID 103044656
8-methoxyquinoline-5-sulfonyl fluoride
CID 165461293
5-propan-2-yloxyquinolin-8-amine
CID 43449641
5-but-2-ynoxyquinoline-8-sulfonyl chloride
CID 103044649
5-chloroquinoline-8-sulfonyl chloride
CID 4206949
5-[2-(methylamino)-2-oxoethoxy]quinoline-8-sulfonyl chloride
CID 103044651
8-Ethoxy-5-quinolinesulfonic acid sodium salt monohydrate
CID 45157436
7-fluoro-8-methylquinoline-5-sulfonyl chloride
CID 54593009

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yloxyquinoline-5-sulfonyl chloride?
The IUPAC name of 8-propan-2-yloxyquinoline-5-sulfonyl chloride (CID 43115660) is 8-propan-2-yloxyquinoline-5-sulfonyl chloride.
What is the SMILES notation for 8-propan-2-yloxyquinoline-5-sulfonyl chloride?
The canonical SMILES for 8-propan-2-yloxyquinoline-5-sulfonyl chloride is CC(C)Oc1ccc(S(=O)(=O)Cl)c2cccnc12.
What is the InChIKey of 8-propan-2-yloxyquinoline-5-sulfonyl chloride?
The InChIKey is RFSDJBFYIMWSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S/c1-8(2)17-10-5-6-11(18(13,15)16)9-4-3-7-14-12(9)10/h3-8H,1-2H3.
What are the key properties of 8-propan-2-yloxyquinoline-5-sulfonyl chloride?
8-propan-2-yloxyquinoline-5-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 8-propan-2-yloxyquinoline-5-sulfonyl chloride is sourced from PubChem (CID 43115660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).