2-chloro-N-[3-(2-hydroxy-2-morpholin-4-yl-1-phenylethoxy)quinoxalin-2-yl]benzenesulfonamide

C26H25ClN4O5S — CID 67404066

IUPAC2-chloro-N-[3-(2-hydroxy-2-morpholin-4-yl-1-phenylethoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1OC(c1ccccc1)C(O)N1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C26H25ClN4O5S/c27-19-10-4-7-13-22(19)37(33,34)30-24-25(29-21-12-6-5-11-20(21)28-24)36-23(18-8-2-1-3-9-18)26(32)31-14-16-35-17-15-31/h1-13,23,26,32H,14-17H2,(H,28,30)
InChIKeyFCISECQZXZPPHX-UHFFFAOYSA-N
MW541.03 g/mol
LogP3.85
Rot. Bonds8

About 2-chloro-N-[3-(2-hydroxy-2-morpholin-4-yl-1-phenylethoxy)quinoxalin-2-yl]benzenesulfonamide

2-chloro-N-[3-(2-hydroxy-2-morpholin-4-yl-1-phenylethoxy)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 67404066) has the molecular formula C26H25ClN4O5S and a molecular weight of 541.03 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-hydroxy-2-morpholin-4-yl-1-phenylethoxy)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-hydroxy-2-morpholin-4-yl-1-phenylethoxy)quinoxalin-2-yl]benzenesulfonamide
PubChem CID67404066
Molecular FormulaC26H25ClN4O5S
Molecular Weight541.03 g/mol
Exact Mass540.12
IUPAC Name2-chloro-N-[3-(2-hydroxy-2-morpholin-4-yl-1-phenylethoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1OC(c1ccccc1)C(O)N1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C26H25ClN4O5S/c27-19-10-4-7-13-22(19)37(33,34)30-24-25(29-21-12-6-5-11-20(21)28-24)36-23(18-8-2-1-3-9-18)26(32)31-14-16-35-17-15-31/h1-13,23,26,32H,14-17H2,(H,28,30)
InChIKeyFCISECQZXZPPHX-UHFFFAOYSA-N
XLogP3.85
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.03
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-hydroxy-2-morpholin-4-yl-1-phenylethoxy)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-(2-hydroxy-2-morpholin-4-yl-1-phenylethoxy)quinoxalin-2-yl]benzenesulfonamide (CID 67404066) is 2-chloro-N-[3-(2-hydroxy-2-morpholin-4-yl-1-phenylethoxy)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(2-hydroxy-2-morpholin-4-yl-1-phenylethoxy)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-(2-hydroxy-2-morpholin-4-yl-1-phenylethoxy)quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1OC(c1ccccc1)C(O)N1CCOCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(2-hydroxy-2-morpholin-4-yl-1-phenylethoxy)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is FCISECQZXZPPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O5S/c27-19-10-4-7-13-22(19)37(33,34)30-24-25(29-21-12-6-5-11-20(21)28-24)36-23(18-8-2-1-3-9-18)26(32)31-14-16-35-17-15-31/h1-13,23,26,32H,14-17H2,(H,28,30).
What are the key properties of 2-chloro-N-[3-(2-hydroxy-2-morpholin-4-yl-1-phenylethoxy)quinoxalin-2-yl]benzenesulfonamide?
2-chloro-N-[3-(2-hydroxy-2-morpholin-4-yl-1-phenylethoxy)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 541.03 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-hydroxy-2-morpholin-4-yl-1-phenylethoxy)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 67404066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).