2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride

C14H13Cl2NO3S — CID 83172298

IUPAC2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride
SMILESC=C(CC)COc1ccc(S(=O)(=O)Cl)c2ccc(Cl)nc12
InChIInChI=1S/C14H13Cl2NO3S/c1-3-9(2)8-20-11-5-6-12(21(16,18)19)10-4-7-13(15)17-14(10)11/h4-7H,2-3,8H2,1H3
InChIKeyQNHJMEWSOQAQCZ-UHFFFAOYSA-N
MW346.24 g/mol
LogP4.16
Rot. Bonds5

About 2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride

2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride (PubChem CID 83172298) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is 2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride.

Molecular Properties

Compound Name2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride
PubChem CID83172298
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC Name2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride
SMILESC=C(CC)COc1ccc(S(=O)(=O)Cl)c2ccc(Cl)nc12
InChIInChI=1S/C14H13Cl2NO3S/c1-3-9(2)8-20-11-5-6-12(21(16,18)19)10-4-7-13(15)17-14(10)11/h4-7H,2-3,8H2,1H3
InChIKeyQNHJMEWSOQAQCZ-UHFFFAOYSA-N
XLogP4.16
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-8-prop-2-enoxyquinoline-5-sulfonyl chloride
CID 83224316
2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride
CID 82910055
8-[(E)-but-2-enoxy]-2-chloroquinoline-5-sulfonyl chloride
CID 83224887
2-chloro-8-pentoxyquinoline-5-sulfonamide
CID 83171239
2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide
CID 83224888
2-chloro-8-ethoxy-N-propan-2-ylquinoline-5-sulfonamide
CID 112553282
3-bromo-4-(2-methylidenebutoxy)benzenesulfonyl chloride
CID 82909746
5-(2-methylidenebutoxy)quinoline-8-sulfonamide
CID 103045360
2-chloro-N-ethyl-8-propan-2-yloxyquinoline-5-sulfonamide
CID 112553274
2-chloro-8-pent-4-enoxyquinoline-5-sulfonamide
CID 83171367
2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide
CID 83171653
4-(2-bromoprop-2-enoxy)-2,3-dimethylbenzenesulfonyl chloride
CID 82909967

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride?
The IUPAC name of 2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride (CID 83172298) is 2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride.
What is the SMILES notation for 2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride?
The canonical SMILES for 2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride is C=C(CC)COc1ccc(S(=O)(=O)Cl)c2ccc(Cl)nc12.
What is the InChIKey of 2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride?
The InChIKey is QNHJMEWSOQAQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c1-3-9(2)8-20-11-5-6-12(21(16,18)19)10-4-7-13(15)17-14(10)11/h4-7H,2-3,8H2,1H3.
What are the key properties of 2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride?
2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride has a molecular weight of 346.24 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride is sourced from PubChem (CID 83172298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).