6-chlorosulfonyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid

C10H8ClNO5S — CID 16770290

IUPAC6-chlorosulfonyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
SMILESO=C1CC(C(=O)O)c2cc(S(=O)(=O)Cl)ccc2N1
InChIInChI=1S/C10H8ClNO5S/c11-18(16,17)5-1-2-8-6(3-5)7(10(14)15)4-9(13)12-8/h1-3,7H,4H2,(H,12,13)(H,14,15)
InChIKeyXZAMNOWDWWKUGQ-UHFFFAOYSA-N
MW289.70 g/mol
LogP1.12
Rot. Bonds2

About 6-chlorosulfonyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid

6-chlorosulfonyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid (PubChem CID 16770290) has the molecular formula C10H8ClNO5S and a molecular weight of 289.70 g/mol. Its IUPAC name is 6-chlorosulfonyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chlorosulfonyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
PubChem CID16770290
Molecular FormulaC10H8ClNO5S
Molecular Weight289.70 g/mol
Exact Mass288.98
IUPAC Name6-chlorosulfonyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
SMILESO=C1CC(C(=O)O)c2cc(S(=O)(=O)Cl)ccc2N1
InChIInChI=1S/C10H8ClNO5S/c11-18(16,17)5-1-2-8-6(3-5)7(10(14)15)4-9(13)12-8/h1-3,7H,4H2,(H,12,13)(H,14,15)
InChIKeyXZAMNOWDWWKUGQ-UHFFFAOYSA-N
XLogP1.12
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chlorosulfonyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
The IUPAC name of 6-chlorosulfonyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid (CID 16770290) is 6-chlorosulfonyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 6-chlorosulfonyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 6-chlorosulfonyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid is O=C1CC(C(=O)O)c2cc(S(=O)(=O)Cl)ccc2N1.
What is the InChIKey of 6-chlorosulfonyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
The InChIKey is XZAMNOWDWWKUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO5S/c11-18(16,17)5-1-2-8-6(3-5)7(10(14)15)4-9(13)12-8/h1-3,7H,4H2,(H,12,13)(H,14,15).
What are the key properties of 6-chlorosulfonyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
6-chlorosulfonyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid has a molecular weight of 289.70 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorosulfonyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 16770290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).