N-[2-(2-nitrophenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine

C14H11N3O3S — CID 11023002

IUPACN-[2-(2-nitrophenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine
SMILESO=[N+]([O-])c1ccccc1C1Sc2ccccc2N=C1NO
InChIInChI=1S/C14H11N3O3S/c18-16-14-13(9-5-1-3-7-11(9)17(19)20)21-12-8-4-2-6-10(12)15-14/h1-8,13,18H,(H,15,16)
InChIKeyYSOGCTRAEYWAKW-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.45
Rot. Bonds2

About N-[2-(2-nitrophenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine

N-[2-(2-nitrophenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine (PubChem CID 11023002) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-[2-(2-nitrophenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine.

Molecular Properties

Compound NameN-[2-(2-nitrophenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine
PubChem CID11023002
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC NameN-[2-(2-nitrophenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine
SMILESO=[N+]([O-])c1ccccc1C1Sc2ccccc2N=C1NO
InChIInChI=1S/C14H11N3O3S/c18-16-14-13(9-5-1-3-7-11(9)17(19)20)21-12-8-4-2-6-10(12)15-14/h1-8,13,18H,(H,15,16)
InChIKeyYSOGCTRAEYWAKW-UHFFFAOYSA-N
XLogP3.45
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylphenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine
CID 11119154
4-(2-nitrophenyl)-3a,4-dihydro-1H-[1,3]thiazolo[5,4-c][1,5]benzoxazepin-2-one
CID 139236773
(3S)-3-(2-nitrophenyl)pyrrolidine
CID 95436908
5-ethyl-6-(2-nitrophenyl)-1,3-thiazinane-2,4-dione
CID 3057296
(7S)-5-methyl-7-(2-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 696393
5-O-methyl 3-O-(113C)methyl 2-methyl-6-(113C)methyl-4-(2-nitrophenyl)-(2,3,4,5,6-13C5)3,4-dihydropyridine-3,5-dicarboxylate
CID 123354601
(7R)-2-(3-hydroxypropyl)-N-(4-methoxyphenyl)-5-methyl-7-(2-nitrophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136755044
1-[4-(2-nitrophenyl)cyclohexyl]ethanone
CID 66545564
2-(2-nitrophenyl)cyclohexan-1-ol
CID 82242231
dimethyl 2-((18F)fluoromethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 177410356
4-(2-nitrophenyl)-1,3-thiazolidine-2-carboxylic acid
CID 71651869
2-(2-nitrophenyl)-1,3-dithiane 1-oxide
CID 134994350

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-nitrophenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine?
The IUPAC name of N-[2-(2-nitrophenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine (CID 11023002) is N-[2-(2-nitrophenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine.
What is the SMILES notation for N-[2-(2-nitrophenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine?
The canonical SMILES for N-[2-(2-nitrophenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine is O=[N+]([O-])c1ccccc1C1Sc2ccccc2N=C1NO.
What is the InChIKey of N-[2-(2-nitrophenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine?
The InChIKey is YSOGCTRAEYWAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c18-16-14-13(9-5-1-3-7-11(9)17(19)20)21-12-8-4-2-6-10(12)15-14/h1-8,13,18H,(H,15,16).
What are the key properties of N-[2-(2-nitrophenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine?
N-[2-(2-nitrophenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine has a molecular weight of 301.33 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-nitrophenyl)-2H-1,4-benzothiazin-3-yl]hydroxylamine is sourced from PubChem (CID 11023002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).