N-[4-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide

C21H21N3O3S — CID 1295703

IUPACN-[4-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCCCC1
InChIInChI=1S/C21H21N3O3S/c25-21(24-14-2-1-3-15-24)17-9-11-18(12-10-17)23-28(26,27)19-8-4-6-16-7-5-13-22-20(16)19/h4-13,23H,1-3,14-15H2
InChIKeyJYOYEEFGDGQRRT-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.66
Rot. Bonds4

About N-[4-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide

N-[4-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide (PubChem CID 1295703) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[4-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
PubChem CID1295703
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[4-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCCCC1
InChIInChI=1S/C21H21N3O3S/c25-21(24-14-2-1-3-15-24)17-9-11-18(12-10-17)23-28(26,27)19-8-4-6-16-7-5-13-22-20(16)19/h4-13,23H,1-3,14-15H2
InChIKeyJYOYEEFGDGQRRT-UHFFFAOYSA-N
XLogP3.66
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide (CID 1295703) is N-[4-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide is O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCCCC1.
What is the InChIKey of N-[4-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The InChIKey is JYOYEEFGDGQRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c25-21(24-14-2-1-3-15-24)17-9-11-18(12-10-17)23-28(26,27)19-8-4-6-16-7-5-13-22-20(16)19/h4-13,23H,1-3,14-15H2.
What are the key properties of N-[4-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
N-[4-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide has a molecular weight of 395.48 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 1295703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).