N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide

C20H17N5O3S — CID 136598761

IUPACN-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(NO)cc1)c1ccccc1
InChIInChI=1S/C20H17N5O3S/c26-24-15-12-10-14(11-13-15)21-19-20(23-18-9-5-4-8-17(18)22-19)25-29(27,28)16-6-2-1-3-7-16/h1-13,24,26H,(H,21,22)(H,23,25)
InChIKeyDIBJIXNNFIZZEK-UHFFFAOYSA-N
MW407.46 g/mol
LogP3.98
Rot. Bonds6

About N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide

N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 136598761) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
PubChem CID136598761
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC NameN-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(NO)cc1)c1ccccc1
InChIInChI=1S/C20H17N5O3S/c26-24-15-12-10-14(11-13-15)21-19-20(23-18-9-5-4-8-17(18)22-19)25-29(27,28)16-6-2-1-3-7-16/h1-13,24,26H,(H,21,22)(H,23,25)
InChIKeyDIBJIXNNFIZZEK-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-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide
CID 89234569
N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-(hydroxyamino)benzenesulfonamide
CID 89234618
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid
CID 58274233
N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2309498
N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 3841697
4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
CID 143628844
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1241528
4-chloro-N-[3-[4-(trifluoromethyl)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 1389033
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 2328420

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide (CID 136598761) is N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(NO)cc1)c1ccccc1.
What is the InChIKey of N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is DIBJIXNNFIZZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c26-24-15-12-10-14(11-13-15)21-19-20(23-18-9-5-4-8-17(18)22-19)25-29(27,28)16-6-2-1-3-7-16/h1-13,24,26H,(H,21,22)(H,23,25).
What are the key properties of N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide?
N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]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-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 136598761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).