N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide

C20H17N5O3S — CID 89234569

IUPACN-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1)c1cccc(NO)c1
InChIInChI=1S/C20H17N5O3S/c26-24-15-9-6-10-16(13-15)29(27,28)25-20-19(21-14-7-2-1-3-8-14)22-17-11-4-5-12-18(17)23-20/h1-13,24,26H,(H,21,22)(H,23,25)
InChIKeyGXNMHARRTCELDU-UHFFFAOYSA-N
MW407.46 g/mol
LogP3.98
Rot. Bonds6

About N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide

N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide (PubChem CID 89234569) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide
PubChem CID89234569
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC NameN-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1)c1cccc(NO)c1
InChIInChI=1S/C20H17N5O3S/c26-24-15-9-6-10-16(13-15)29(27,28)25-20-19(21-14-7-2-1-3-8-14)22-17-11-4-5-12-18(17)23-20/h1-13,24,26H,(H,21,22)(H,23,25)
InChIKeyGXNMHARRTCELDU-UHFFFAOYSA-N
XLogP3.98
TPSA116.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 136598761
N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2309498
3-[[3-[(3-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
CID 1401039
N-[3-(4-anilinoanilino)quinoxalin-2-yl]-3-nitrobenzenesulfonamide
CID 3535144
3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1400465
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1024035
N-[3-(3-bromoanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
CID 2010811
N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 3343597
3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1403080
2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 25027721
N-[3-(3-ethylanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
CID 1402552

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide?
The IUPAC name of N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide (CID 89234569) is N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide.
What is the SMILES notation for N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide?
The canonical SMILES for N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1)c1cccc(NO)c1.
What is the InChIKey of N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide?
The InChIKey is GXNMHARRTCELDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c26-24-15-9-6-10-16(13-15)29(27,28)25-20-19(21-14-7-2-1-3-8-14)22-17-11-4-5-12-18(17)23-20/h1-13,24,26H,(H,21,22)(H,23,25).
What are the key properties of N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide?
N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide has a molecular weight of 407.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide is sourced from PubChem (CID 89234569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).