2,5-difluoro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide

C20H21F2N5O3S — CID 2560544

IUPAC2,5-difluoro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1N1CCN(CCO)CC1)c1cc(F)ccc1F
InChIInChI=1S/C20H21F2N5O3S/c21-14-5-6-15(22)18(13-14)31(29,30)25-19-20(24-17-4-2-1-3-16(17)23-19)27-9-7-26(8-10-27)11-12-28/h1-6,13,28H,7-12H2,(H,23,25)
InChIKeyFNQNQOGJRWQDDF-UHFFFAOYSA-N
MW449.48 g/mol
LogP1.82
Rot. Bonds6

About 2,5-difluoro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide

2,5-difluoro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 2560544) has the molecular formula C20H21F2N5O3S and a molecular weight of 449.48 g/mol. Its IUPAC name is 2,5-difluoro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
PubChem CID2560544
Molecular FormulaC20H21F2N5O3S
Molecular Weight449.48 g/mol
Exact Mass449.13
IUPAC Name2,5-difluoro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1N1CCN(CCO)CC1)c1cc(F)ccc1F
InChIInChI=1S/C20H21F2N5O3S/c21-14-5-6-15(22)18(13-14)31(29,30)25-19-20(24-17-4-2-1-3-16(17)23-19)27-9-7-26(8-10-27)11-12-28/h1-6,13,28H,7-12H2,(H,23,25)
InChIKeyFNQNQOGJRWQDDF-UHFFFAOYSA-N
XLogP1.82
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-{3-[4-(2-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl}benzenesulfonamide
CID 1325905
N-[3-[3-(1-piperidinylsulfonyl)anilino]-2-quinoxalinyl]benzenesulfonamide
CID 4092119
4-(Benzenesulfonyl)-8-quinoxalin-2-yl-1-oxa-4,8-diazaspiro[4.5]decane
CID 57391006
1-[3-(Benzenesulfonyl)quinoxalin-2-yl]piperidin-4-ol
CID 70685462
4-[3-(Benzenesulfonyl)quinoxalin-2-yl]morpholine
CID 70691801
1-[3-(Benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol
CID 70693865
4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 2055386
N-[4-[(3-morpholin-4-ylquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
CID 1910549
[(4-Methylphenyl)sulfonyl](3-morpholin-4-ylquinoxalin-2-yl)amine
CID 2305758
4-amino-N-[3-(azepan-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 389572
1-(phenylsulfonyl)-3-[3-(propan-2-yloxy)propyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 664320
3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline
CID 664837

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide (CID 2560544) is 2,5-difluoro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1N1CCN(CCO)CC1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is FNQNQOGJRWQDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O3S/c21-14-5-6-15(22)18(13-14)31(29,30)25-19-20(24-17-4-2-1-3-16(17)23-19)27-9-7-26(8-10-27)11-12-28/h1-6,13,28H,7-12H2,(H,23,25).
What are the key properties of 2,5-difluoro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide?
2,5-difluoro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 449.48 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 2560544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).