N-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide

C23H22N4O3S — CID 133434691

IUPACN-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1NCCc1ccc(CO)cc1)c1ccccc1
InChIInChI=1S/C23H22N4O3S/c28-16-18-12-10-17(11-13-18)14-15-24-22-23(26-21-9-5-4-8-20(21)25-22)27-31(29,30)19-6-2-1-3-7-19/h1-13,28H,14-16H2,(H,24,25)(H,26,27)
InChIKeyIOROGGDOTJZWOH-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.58
Rot. Bonds8

About N-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide

N-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 133434691) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide
PubChem CID133434691
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1NCCc1ccc(CO)cc1)c1ccccc1
InChIInChI=1S/C23H22N4O3S/c28-16-18-12-10-17(11-13-18)14-15-24-22-23(26-21-9-5-4-8-20(21)25-22)27-31(29,30)19-6-2-1-3-7-19/h1-13,28H,14-16H2,(H,24,25)(H,26,27)
InChIKeyIOROGGDOTJZWOH-UHFFFAOYSA-N
XLogP3.58
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1405616
N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 2921932
N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 25038629
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide
CID 6471959
4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid
CID 20873702
4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3340734
N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 136598761
N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16941820
N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3421168
3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1392277

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide (CID 133434691) is N-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1NCCc1ccc(CO)cc1)c1ccccc1.
What is the InChIKey of N-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is IOROGGDOTJZWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c28-16-18-12-10-17(11-13-18)14-15-24-22-23(26-21-9-5-4-8-20(21)25-22)27-31(29,30)19-6-2-1-3-7-19/h1-13,28H,14-16H2,(H,24,25)(H,26,27).
What are the key properties of N-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide?
N-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 434.52 g/mol, XLogP of 3.58, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 133434691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).