8-chloro-N-(2-piperazin-1-ylethyl)quinoline-5-sulfonamide

C15H19ClN4O2S — CID 54156973

IUPAC8-chloro-N-(2-piperazin-1-ylethyl)quinoline-5-sulfonamide
SMILESO=S(=O)(NCCN1CCNCC1)c1ccc(Cl)c2ncccc12
InChIInChI=1S/C15H19ClN4O2S/c16-13-3-4-14(12-2-1-5-18-15(12)13)23(21,22)19-8-11-20-9-6-17-7-10-20/h1-5,17,19H,6-11H2
InChIKeyOLTMVSRDYJSJDV-UHFFFAOYSA-N
MW354.86 g/mol
LogP1.07
Rot. Bonds5

About 8-chloro-N-(2-piperazin-1-ylethyl)quinoline-5-sulfonamide

8-chloro-N-(2-piperazin-1-ylethyl)quinoline-5-sulfonamide (PubChem CID 54156973) has the molecular formula C15H19ClN4O2S and a molecular weight of 354.86 g/mol. Its IUPAC name is 8-chloro-N-(2-piperazin-1-ylethyl)quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-(2-piperazin-1-ylethyl)quinoline-5-sulfonamide
PubChem CID54156973
Molecular FormulaC15H19ClN4O2S
Molecular Weight354.86 g/mol
Exact Mass354.09
IUPAC Name8-chloro-N-(2-piperazin-1-ylethyl)quinoline-5-sulfonamide
SMILESO=S(=O)(NCCN1CCNCC1)c1ccc(Cl)c2ncccc12
InChIInChI=1S/C15H19ClN4O2S/c16-13-3-4-14(12-2-1-5-18-15(12)13)23(21,22)19-8-11-20-9-6-17-7-10-20/h1-5,17,19H,6-11H2
InChIKeyOLTMVSRDYJSJDV-UHFFFAOYSA-N
XLogP1.07
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-piperazin-1-ylethyl)quinoline-5-sulfonamide?
The IUPAC name of 8-chloro-N-(2-piperazin-1-ylethyl)quinoline-5-sulfonamide (CID 54156973) is 8-chloro-N-(2-piperazin-1-ylethyl)quinoline-5-sulfonamide.
What is the SMILES notation for 8-chloro-N-(2-piperazin-1-ylethyl)quinoline-5-sulfonamide?
The canonical SMILES for 8-chloro-N-(2-piperazin-1-ylethyl)quinoline-5-sulfonamide is O=S(=O)(NCCN1CCNCC1)c1ccc(Cl)c2ncccc12.
What is the InChIKey of 8-chloro-N-(2-piperazin-1-ylethyl)quinoline-5-sulfonamide?
The InChIKey is OLTMVSRDYJSJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2S/c16-13-3-4-14(12-2-1-5-18-15(12)13)23(21,22)19-8-11-20-9-6-17-7-10-20/h1-5,17,19H,6-11H2.
What are the key properties of 8-chloro-N-(2-piperazin-1-ylethyl)quinoline-5-sulfonamide?
8-chloro-N-(2-piperazin-1-ylethyl)quinoline-5-sulfonamide has a molecular weight of 354.86 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-piperazin-1-ylethyl)quinoline-5-sulfonamide is sourced from PubChem (CID 54156973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).