3,5-dichloro-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide

C19H18Cl2N4O2S — CID 6918576

IUPAC3,5-dichloro-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H18Cl2N4O2S/c20-13-9-14(21)11-16(10-13)28(26,27)24-15-1-2-18-17(12-15)19(3-4-23-18)25-7-5-22-6-8-25/h1-4,9-12,22,24H,5-8H2
InChIKeyJEYNHUJGOUZJRS-UHFFFAOYSA-N
MW437.35 g/mol
LogP3.75
Rot. Bonds4

About 3,5-dichloro-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide

3,5-dichloro-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide (PubChem CID 6918576) has the molecular formula C19H18Cl2N4O2S and a molecular weight of 437.35 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide
PubChem CID6918576
Molecular FormulaC19H18Cl2N4O2S
Molecular Weight437.35 g/mol
Exact Mass436.05
IUPAC Name3,5-dichloro-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H18Cl2N4O2S/c20-13-9-14(21)11-16(10-13)28(26,27)24-15-1-2-18-17(12-15)19(3-4-23-18)25-7-5-22-6-8-25/h1-4,9-12,22,24H,5-8H2
InChIKeyJEYNHUJGOUZJRS-UHFFFAOYSA-N
XLogP3.75
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide (CID 6918576) is 3,5-dichloro-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide?
The InChIKey is JEYNHUJGOUZJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2S/c20-13-9-14(21)11-16(10-13)28(26,27)24-15-1-2-18-17(12-15)19(3-4-23-18)25-7-5-22-6-8-25/h1-4,9-12,22,24H,5-8H2.
What are the key properties of 3,5-dichloro-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide?
3,5-dichloro-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide has a molecular weight of 437.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 6918576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).