3-chloro-N-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]benzenesulfonamide

C20H22ClN5O3S — CID 666487

IUPAC3-chloro-N-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1NCCN1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C20H22ClN5O3S/c21-15-4-3-5-16(14-15)30(27,28)25-20-19(22-8-9-26-10-12-29-13-11-26)23-17-6-1-2-7-18(17)24-20/h1-7,14H,8-13H2,(H,22,23)(H,24,25)
InChIKeyIFBJQDOMQYFLSA-UHFFFAOYSA-N
MW447.95 g/mol
LogP2.83
Rot. Bonds7

About 3-chloro-N-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]benzenesulfonamide

3-chloro-N-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 666487) has the molecular formula C20H22ClN5O3S and a molecular weight of 447.95 g/mol. Its IUPAC name is 3-chloro-N-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID666487
Molecular FormulaC20H22ClN5O3S
Molecular Weight447.95 g/mol
Exact Mass447.11
IUPAC Name3-chloro-N-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1NCCN1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C20H22ClN5O3S/c21-15-4-3-5-16(14-15)30(27,28)25-20-19(22-8-9-26-10-12-29-13-11-26)23-17-6-1-2-7-18(17)24-20/h1-7,14H,8-13H2,(H,22,23)(H,24,25)
InChIKeyIFBJQDOMQYFLSA-UHFFFAOYSA-N
XLogP2.83
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.95
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]benzenesulfonamide (CID 666487) is 3-chloro-N-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1NCCN1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is IFBJQDOMQYFLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3S/c21-15-4-3-5-16(14-15)30(27,28)25-20-19(22-8-9-26-10-12-29-13-11-26)23-17-6-1-2-7-18(17)24-20/h1-7,14H,8-13H2,(H,22,23)(H,24,25).
What are the key properties of 3-chloro-N-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]benzenesulfonamide?
3-chloro-N-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 447.95 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 666487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).