2-chloroquinoline-5-sulfonamide

C9H7ClN2O2S — CID 154295379

IUPAC2-chloroquinoline-5-sulfonamide
SMILESNS(=O)(=O)c1cccc2nc(Cl)ccc12
InChIInChI=1S/C9H7ClN2O2S/c10-9-5-4-6-7(12-9)2-1-3-8(6)15(11,13)14/h1-5H,(H2,11,13,14)
InChIKeyZXMDOIGCXZAGRJ-UHFFFAOYSA-N
MW242.69 g/mol
LogP1.54
Rot. Bonds1

About 2-chloroquinoline-5-sulfonamide

2-chloroquinoline-5-sulfonamide (PubChem CID 154295379) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is 2-chloroquinoline-5-sulfonamide.

Molecular Properties

Compound Name2-chloroquinoline-5-sulfonamide
PubChem CID154295379
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Name2-chloroquinoline-5-sulfonamide
SMILESNS(=O)(=O)c1cccc2nc(Cl)ccc12
InChIInChI=1S/C9H7ClN2O2S/c10-9-5-4-6-7(12-9)2-1-3-8(6)15(11,13)14/h1-5H,(H2,11,13,14)
InChIKeyZXMDOIGCXZAGRJ-UHFFFAOYSA-N
XLogP1.54
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloroquinoline
CID 676552
acridine-1-sulfonamide;methane
CID 175223861
2-chloro-5-ethylquinoline;ethane
CID 143687373
azane;naphthalene-1-sulfonamide
CID 174765300
(2-chloroquinolin-5-yl)-trimethylsilane
CID 119084079
(2-chloroquinolin-5-yl) 2,2-dimethylpropanoate
CID 142729394
2-chloro-8-prop-2-enoxyquinoline-5-sulfonamide
CID 83224888
1-(2-chloroquinolin-5-yl)-N,N-dimethylmethanamine
CID 118658353
isoquinoline-5-sulfonamide;trihydrochloride
CID 140968257
2-chloro-5-prop-1-en-2-ylquinoline
CID 119084095
2-chloro-3-sulfanylbenzenesulfonamide
CID 168966087
2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide
CID 83171653

Frequently Asked Questions

What is the IUPAC name of 2-chloroquinoline-5-sulfonamide?
The IUPAC name of 2-chloroquinoline-5-sulfonamide (CID 154295379) is 2-chloroquinoline-5-sulfonamide.
What is the SMILES notation for 2-chloroquinoline-5-sulfonamide?
The canonical SMILES for 2-chloroquinoline-5-sulfonamide is NS(=O)(=O)c1cccc2nc(Cl)ccc12.
What is the InChIKey of 2-chloroquinoline-5-sulfonamide?
The InChIKey is ZXMDOIGCXZAGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c10-9-5-4-6-7(12-9)2-1-3-8(6)15(11,13)14/h1-5H,(H2,11,13,14).
What are the key properties of 2-chloroquinoline-5-sulfonamide?
2-chloroquinoline-5-sulfonamide has a molecular weight of 242.69 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroquinoline-5-sulfonamide is sourced from PubChem (CID 154295379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).