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

C20H16FN5O3S — CID 89234618

IUPACN-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-(hydroxyamino)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1F)c1ccc(NO)cc1
InChIInChI=1S/C20H16FN5O3S/c21-15-5-1-2-6-16(15)22-19-20(24-18-8-4-3-7-17(18)23-19)26-30(28,29)14-11-9-13(25-27)10-12-14/h1-12,25,27H,(H,22,23)(H,24,26)
InChIKeySQSAWKKMVJKDGM-UHFFFAOYSA-N
MW425.45 g/mol
LogP4.11
Rot. Bonds6

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

N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-(hydroxyamino)benzenesulfonamide (PubChem CID 89234618) has the molecular formula C20H16FN5O3S and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-(hydroxyamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-(hydroxyamino)benzenesulfonamide
PubChem CID89234618
Molecular FormulaC20H16FN5O3S
Molecular Weight425.45 g/mol
Exact Mass425.10
IUPAC NameN-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-(hydroxyamino)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1F)c1ccc(NO)cc1
InChIInChI=1S/C20H16FN5O3S/c21-15-5-1-2-6-16(15)22-19-20(24-18-8-4-3-7-17(18)23-19)26-30(28,29)14-11-9-13(25-27)10-12-14/h1-12,25,27H,(H,22,23)(H,24,26)
InChIKeySQSAWKKMVJKDGM-UHFFFAOYSA-N
XLogP4.11
TPSA116.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 54.11
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-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 2025854
N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 136598761
4-chloro-N-[3-[4-(trifluoromethyl)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 1389033
N-[3-(2-fluoroanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 1402906
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
4-chloro-N-[3-(naphthalen-2-ylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1050498
N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide
CID 89234569
4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1024035
N-[3-(3-fluoro-4-methylanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1399157
4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 25040610
4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
CID 143628844
N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1392214

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-(hydroxyamino)benzenesulfonamide?
The IUPAC name of N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-(hydroxyamino)benzenesulfonamide (CID 89234618) is N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-(hydroxyamino)benzenesulfonamide.
What is the SMILES notation for N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-(hydroxyamino)benzenesulfonamide?
The canonical SMILES for N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-(hydroxyamino)benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1F)c1ccc(NO)cc1.
What is the InChIKey of N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-(hydroxyamino)benzenesulfonamide?
The InChIKey is SQSAWKKMVJKDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3S/c21-15-5-1-2-6-16(15)22-19-20(24-18-8-4-3-7-17(18)23-19)26-30(28,29)14-11-9-13(25-27)10-12-14/h1-12,25,27H,(H,22,23)(H,24,26).
What are the key properties of N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-(hydroxyamino)benzenesulfonamide?
N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-(hydroxyamino)benzenesulfonamide has a molecular weight of 425.45 g/mol, XLogP of 4.11, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-(hydroxyamino)benzenesulfonamide is sourced from PubChem (CID 89234618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).