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

C20H21ClN4O2S — CID 3700003

IUPAC4-chloro-N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
SMILESCC1CCCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H21ClN4O2S/c1-14-5-4-12-25(13-14)20-19(22-17-6-2-3-7-18(17)23-20)24-28(26,27)16-10-8-15(21)9-11-16/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,22,24)
InChIKeyVFCQVHRRHUJLQE-UHFFFAOYSA-N
MW416.93 g/mol
LogP4.32
Rot. Bonds4

About 4-chloro-N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide

4-chloro-N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 3700003) has the molecular formula C20H21ClN4O2S and a molecular weight of 416.93 g/mol. Its IUPAC name is 4-chloro-N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
PubChem CID3700003
Molecular FormulaC20H21ClN4O2S
Molecular Weight416.93 g/mol
Exact Mass416.11
IUPAC Name4-chloro-N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
SMILESCC1CCCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H21ClN4O2S/c1-14-5-4-12-25(13-14)20-19(22-17-6-2-3-7-18(17)23-20)24-28(26,27)16-10-8-15(21)9-11-16/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,22,24)
InChIKeyVFCQVHRRHUJLQE-UHFFFAOYSA-N
XLogP4.32
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide (CID 3700003) is 4-chloro-N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide is CC1CCCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-chloro-N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is VFCQVHRRHUJLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2S/c1-14-5-4-12-25(13-14)20-19(22-17-6-2-3-7-18(17)23-20)24-28(26,27)16-10-8-15(21)9-11-16/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,22,24).
What are the key properties of 4-chloro-N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide?
4-chloro-N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 416.93 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 3700003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).