N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide

C20H22N4O2S — CID 4599321

IUPACN-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
SMILESCC1CCCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C20H22N4O2S/c1-15-8-7-13-24(14-15)20-19(21-17-11-5-6-12-18(17)22-20)23-27(25,26)16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,21,23)
InChIKeyCHQRQYAQKRCZSF-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.67
Rot. Bonds4

About N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide

N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 4599321) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
PubChem CID4599321
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
SMILESCC1CCCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C20H22N4O2S/c1-15-8-7-13-24(14-15)20-19(21-17-11-5-6-12-18(17)22-20)23-27(25,26)16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,21,23)
InChIKeyCHQRQYAQKRCZSF-UHFFFAOYSA-N
XLogP3.67
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide (CID 4599321) is N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide is CC1CCCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is CHQRQYAQKRCZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-15-8-7-13-24(14-15)20-19(21-17-11-5-6-12-18(17)22-20)23-27(25,26)16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,21,23).
What are the key properties of N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide?
N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 4599321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).