5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide

C12H11ClN2O3S — CID 103045348

IUPAC5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide
SMILESNS(=O)(=O)c1ccc(OC/C=C/Cl)c2cccnc12
InChIInChI=1S/C12H11ClN2O3S/c13-6-2-8-18-10-4-5-11(19(14,16)17)12-9(10)3-1-7-15-12/h1-7H,8H2,(H2,14,16,17)/b6-2+
InChIKeyNUNXPEBLPDRFEB-QHHAFSJGSA-N
MW298.75 g/mol
LogP2.01
Rot. Bonds4

About 5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide

5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide (PubChem CID 103045348) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is 5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide.

Molecular Properties

Compound Name5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide
PubChem CID103045348
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC Name5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide
SMILESNS(=O)(=O)c1ccc(OC/C=C/Cl)c2cccnc12
InChIInChI=1S/C12H11ClN2O3S/c13-6-2-8-18-10-4-5-11(19(14,16)17)12-9(10)3-1-7-15-12/h1-7H,8H2,(H2,14,16,17)/b6-2+
InChIKeyNUNXPEBLPDRFEB-QHHAFSJGSA-N
XLogP2.01
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(E)-but-2-enoxy]quinoline-5-sulfonamide
CID 82921921
5-but-3-ynoxyquinoline-8-sulfonamide
CID 103045310
5-(cyclobutylmethoxy)quinoline-8-sulfonamide
CID 103045327
8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine
CID 107899466
5-propan-2-yloxyquinoline-8-sulfonamide
CID 103045315
5-(2-methylidenebutoxy)quinoline-8-sulfonamide
CID 103045360
5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide
CID 103045343
8-(3-fluoropropoxy)quinoline-5-sulfonamide
CID 81113157
8-phenylmethoxyquinoline-5-sulfonamide
CID 60758024
8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide
CID 43164351
2-chloro-3-(3-chloroprop-2-enoxy)pyridine
CID 77056049
5-but-2-ynoxyquinoline-8-sulfonyl chloride
CID 103044649

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide?
The IUPAC name of 5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide (CID 103045348) is 5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide.
What is the SMILES notation for 5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide?
The canonical SMILES for 5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide is NS(=O)(=O)c1ccc(OC/C=C/Cl)c2cccnc12.
What is the InChIKey of 5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide?
The InChIKey is NUNXPEBLPDRFEB-QHHAFSJGSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c13-6-2-8-18-10-4-5-11(19(14,16)17)12-9(10)3-1-7-15-12/h1-7H,8H2,(H2,14,16,17)/b6-2+.
What are the key properties of 5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide?
5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide has a molecular weight of 298.75 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide is sourced from PubChem (CID 103045348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).