2,5-dichloro-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide

C19H18Cl2N4O3S — CID 4314561

IUPAC2,5-dichloro-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1NCC1CCCO1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H18Cl2N4O3S/c20-12-7-8-14(21)17(10-12)29(26,27)25-19-18(22-11-13-4-3-9-28-13)23-15-5-1-2-6-16(15)24-19/h1-2,5-8,10,13H,3-4,9,11H2,(H,22,23)(H,24,25)
InChIKeyRZFLNRZZWIGYOC-UHFFFAOYSA-N
MW453.35 g/mol
LogP4.33
Rot. Bonds6

About 2,5-dichloro-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide

2,5-dichloro-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 4314561) has the molecular formula C19H18Cl2N4O3S and a molecular weight of 453.35 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID4314561
Molecular FormulaC19H18Cl2N4O3S
Molecular Weight453.35 g/mol
Exact Mass452.05
IUPAC Name2,5-dichloro-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1NCC1CCCO1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H18Cl2N4O3S/c20-12-7-8-14(21)17(10-12)29(26,27)25-19-18(22-11-13-4-3-9-28-13)23-15-5-1-2-6-16(15)24-19/h1-2,5-8,10,13H,3-4,9,11H2,(H,22,23)(H,24,25)
InChIKeyRZFLNRZZWIGYOC-UHFFFAOYSA-N
XLogP4.33
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.35
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide (CID 4314561) is 2,5-dichloro-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1NCC1CCCO1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is RZFLNRZZWIGYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O3S/c20-12-7-8-14(21)17(10-12)29(26,27)25-19-18(22-11-13-4-3-9-28-13)23-15-5-1-2-6-16(15)24-19/h1-2,5-8,10,13H,3-4,9,11H2,(H,22,23)(H,24,25).
What are the key properties of 2,5-dichloro-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide?
2,5-dichloro-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 453.35 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 4314561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).