[1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol

C11H16N4O5S — CID 82847679

IUPAC[1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESNNc1cc(S(=O)(=O)N2CCCC2CO)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O5S/c12-13-10-6-9(3-4-11(10)15(17)18)21(19,20)14-5-1-2-8(14)7-16/h3-4,6,8,13,16H,1-2,5,7,12H2
InChIKeyVGIXKUVFJZIBDR-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.03
Rot. Bonds5

About [1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol

[1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 82847679) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is [1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID82847679
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC Name[1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESNNc1cc(S(=O)(=O)N2CCCC2CO)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O5S/c12-13-10-6-9(3-4-11(10)15(17)18)21(19,20)14-5-1-2-8(14)7-16/h3-4,6,8,13,16H,1-2,5,7,12H2
InChIKeyVGIXKUVFJZIBDR-UHFFFAOYSA-N
XLogP0.03
TPSA138.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-hydrazinyl-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409771
[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409282
[1-(4-hydrazinyl-2-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409810
1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidine-3,4-diol
CID 106670078
[(2S)-1-(3,4-dimethyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260606
[(2S)-1-(4,5-dimethyl-2-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 79027928
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3294316
[1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409335
(2-ethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone
CID 62681247
4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide
CID 61409237
[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409059
[1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409204

Frequently Asked Questions

What is the IUPAC name of [1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol (CID 82847679) is [1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol is NNc1cc(S(=O)(=O)N2CCCC2CO)ccc1[N+](=O)[O-].
What is the InChIKey of [1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is VGIXKUVFJZIBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c12-13-10-6-9(3-4-11(10)15(17)18)21(19,20)14-5-1-2-8(14)7-16/h3-4,6,8,13,16H,1-2,5,7,12H2.
What are the key properties of [1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol?
[1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 316.34 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 82847679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).