1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidine-3,4-diol

C10H14N4O6S — CID 106670078

IUPAC1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidine-3,4-diol
SMILESNNc1cc(S(=O)(=O)N2CC(O)C(O)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O6S/c11-12-7-3-6(1-2-8(7)14(17)18)21(19,20)13-4-9(15)10(16)5-13/h1-3,9-10,12,15-16H,4-5,11H2
InChIKeyDKIRDJOFLLYPBY-UHFFFAOYSA-N
MW318.31 g/mol
LogP-1.39
Rot. Bonds4

About 1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidine-3,4-diol

1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidine-3,4-diol (PubChem CID 106670078) has the molecular formula C10H14N4O6S and a molecular weight of 318.31 g/mol. Its IUPAC name is 1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidine-3,4-diol
PubChem CID106670078
Molecular FormulaC10H14N4O6S
Molecular Weight318.31 g/mol
Exact Mass318.06
IUPAC Name1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidine-3,4-diol
SMILESNNc1cc(S(=O)(=O)N2CC(O)C(O)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O6S/c11-12-7-3-6(1-2-8(7)14(17)18)21(19,20)13-4-9(15)10(16)5-13/h1-3,9-10,12,15-16H,4-5,11H2
InChIKeyDKIRDJOFLLYPBY-UHFFFAOYSA-N
XLogP-1.39
TPSA159.03 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 82847679
(2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine
CID 16775038
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-2-nitroaniline
CID 82845652
N-cyclopentyl-3-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 82847526
N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82854442
1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine
CID 65244416
4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-nitrophenol
CID 79181850
3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide
CID 82847669
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methyl-2-nitroaniline
CID 9280658
(3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 82854595
(3,4-dimethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone
CID 79187045
[1-(4-hydrazinyl-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409771

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidine-3,4-diol?
The IUPAC name of 1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidine-3,4-diol (CID 106670078) is 1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidine-3,4-diol.
What is the SMILES notation for 1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidine-3,4-diol?
The canonical SMILES for 1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidine-3,4-diol is NNc1cc(S(=O)(=O)N2CC(O)C(O)C2)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidine-3,4-diol?
The InChIKey is DKIRDJOFLLYPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O6S/c11-12-7-3-6(1-2-8(7)14(17)18)21(19,20)13-4-9(15)10(16)5-13/h1-3,9-10,12,15-16H,4-5,11H2.
What are the key properties of 1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidine-3,4-diol?
1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidine-3,4-diol has a molecular weight of 318.31 g/mol, XLogP of -1.39, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidine-3,4-diol is sourced from PubChem (CID 106670078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).