4-(4-quinolin-2-ylpiperazin-1-yl)sulfonylaniline

C19H20N4O2S — CID 3696036

IUPAC4-(4-quinolin-2-ylpiperazin-1-yl)sulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCN(c3ccc4ccccc4n3)CC2)cc1
InChIInChI=1S/C19H20N4O2S/c20-16-6-8-17(9-7-16)26(24,25)23-13-11-22(12-14-23)19-10-5-15-3-1-2-4-18(15)21-19/h1-10H,11-14,20H2
InChIKeyIYYOQILVHXARDB-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.33
Rot. Bonds3

About 4-(4-quinolin-2-ylpiperazin-1-yl)sulfonylaniline

4-(4-quinolin-2-ylpiperazin-1-yl)sulfonylaniline (PubChem CID 3696036) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-(4-quinolin-2-ylpiperazin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-(4-quinolin-2-ylpiperazin-1-yl)sulfonylaniline
PubChem CID3696036
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-(4-quinolin-2-ylpiperazin-1-yl)sulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCN(c3ccc4ccccc4n3)CC2)cc1
InChIInChI=1S/C19H20N4O2S/c20-16-6-8-17(9-7-16)26(24,25)23-13-11-22(12-14-23)19-10-5-15-3-1-2-4-18(15)21-19/h1-10H,11-14,20H2
InChIKeyIYYOQILVHXARDB-UHFFFAOYSA-N
XLogP2.33
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-quinolin-2-ylpiperazin-1-yl)sulfonylaniline?
The IUPAC name of 4-(4-quinolin-2-ylpiperazin-1-yl)sulfonylaniline (CID 3696036) is 4-(4-quinolin-2-ylpiperazin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-(4-quinolin-2-ylpiperazin-1-yl)sulfonylaniline?
The canonical SMILES for 4-(4-quinolin-2-ylpiperazin-1-yl)sulfonylaniline is Nc1ccc(S(=O)(=O)N2CCN(c3ccc4ccccc4n3)CC2)cc1.
What is the InChIKey of 4-(4-quinolin-2-ylpiperazin-1-yl)sulfonylaniline?
The InChIKey is IYYOQILVHXARDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c20-16-6-8-17(9-7-16)26(24,25)23-13-11-22(12-14-23)19-10-5-15-3-1-2-4-18(15)21-19/h1-10H,11-14,20H2.
What are the key properties of 4-(4-quinolin-2-ylpiperazin-1-yl)sulfonylaniline?
4-(4-quinolin-2-ylpiperazin-1-yl)sulfonylaniline has a molecular weight of 368.46 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-quinolin-2-ylpiperazin-1-yl)sulfonylaniline is sourced from PubChem (CID 3696036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).