N-(4-piperazin-1-ylquinolin-6-yl)dibenzofuran-2-sulfonamide;hydrochloride

C25H23ClN4O3S — CID 44533538

IUPACN-(4-piperazin-1-ylquinolin-6-yl)dibenzofuran-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C25H22N4O3S.ClH/c30-33(31,18-6-8-25-20(16-18)19-3-1-2-4-24(19)32-25)28-17-5-7-22-21(15-17)23(9-10-27-22)29-13-11-26-12-14-29;/h1-10,15-16,26,28H,11-14H2;1H
InChIKeyXYFXWZUAZZLAGH-UHFFFAOYSA-N
MW495.00 g/mol
LogP4.77
Rot. Bonds4

About N-(4-piperazin-1-ylquinolin-6-yl)dibenzofuran-2-sulfonamide;hydrochloride

N-(4-piperazin-1-ylquinolin-6-yl)dibenzofuran-2-sulfonamide;hydrochloride (PubChem CID 44533538) has the molecular formula C25H23ClN4O3S and a molecular weight of 495.00 g/mol. Its IUPAC name is N-(4-piperazin-1-ylquinolin-6-yl)dibenzofuran-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-piperazin-1-ylquinolin-6-yl)dibenzofuran-2-sulfonamide;hydrochloride
PubChem CID44533538
Molecular FormulaC25H23ClN4O3S
Molecular Weight495.00 g/mol
Exact Mass494.12
IUPAC NameN-(4-piperazin-1-ylquinolin-6-yl)dibenzofuran-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C25H22N4O3S.ClH/c30-33(31,18-6-8-25-20(16-18)19-3-1-2-4-24(19)32-25)28-17-5-7-22-21(15-17)23(9-10-27-22)29-13-11-26-12-14-29;/h1-10,15-16,26,28H,11-14H2;1H
InChIKeyXYFXWZUAZZLAGH-UHFFFAOYSA-N
XLogP4.77
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.00
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperazin-1-ylquinolin-6-yl)dibenzofuran-2-sulfonamide;hydrochloride?
The IUPAC name of N-(4-piperazin-1-ylquinolin-6-yl)dibenzofuran-2-sulfonamide;hydrochloride (CID 44533538) is N-(4-piperazin-1-ylquinolin-6-yl)dibenzofuran-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-(4-piperazin-1-ylquinolin-6-yl)dibenzofuran-2-sulfonamide;hydrochloride?
The canonical SMILES for N-(4-piperazin-1-ylquinolin-6-yl)dibenzofuran-2-sulfonamide;hydrochloride is Cl.O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-(4-piperazin-1-ylquinolin-6-yl)dibenzofuran-2-sulfonamide;hydrochloride?
The InChIKey is XYFXWZUAZZLAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S.ClH/c30-33(31,18-6-8-25-20(16-18)19-3-1-2-4-24(19)32-25)28-17-5-7-22-21(15-17)23(9-10-27-22)29-13-11-26-12-14-29;/h1-10,15-16,26,28H,11-14H2;1H.
What are the key properties of N-(4-piperazin-1-ylquinolin-6-yl)dibenzofuran-2-sulfonamide;hydrochloride?
N-(4-piperazin-1-ylquinolin-6-yl)dibenzofuran-2-sulfonamide;hydrochloride has a molecular weight of 495.00 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperazin-1-ylquinolin-6-yl)dibenzofuran-2-sulfonamide;hydrochloride is sourced from PubChem (CID 44533538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).