2-fluoro-6-hydrazinyl-4-nitro-N-(oxolan-3-yl)benzenesulfonamide

C10H13FN4O5S — CID 80712583

IUPAC2-fluoro-6-hydrazinyl-4-nitro-N-(oxolan-3-yl)benzenesulfonamide
SMILESNNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)NC1CCOC1
InChIInChI=1S/C10H13FN4O5S/c11-8-3-7(15(16)17)4-9(13-12)10(8)21(18,19)14-6-1-2-20-5-6/h3-4,6,13-14H,1-2,5,12H2
InChIKeyHEKRYAHWVSMLFT-UHFFFAOYSA-N
MW320.30 g/mol
LogP0.09
Rot. Bonds5

About 2-fluoro-6-hydrazinyl-4-nitro-N-(oxolan-3-yl)benzenesulfonamide

2-fluoro-6-hydrazinyl-4-nitro-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 80712583) has the molecular formula C10H13FN4O5S and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-fluoro-6-hydrazinyl-4-nitro-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-6-hydrazinyl-4-nitro-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID80712583
Molecular FormulaC10H13FN4O5S
Molecular Weight320.30 g/mol
Exact Mass320.06
IUPAC Name2-fluoro-6-hydrazinyl-4-nitro-N-(oxolan-3-yl)benzenesulfonamide
SMILESNNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)NC1CCOC1
InChIInChI=1S/C10H13FN4O5S/c11-8-3-7(15(16)17)4-9(13-12)10(8)21(18,19)14-6-1-2-20-5-6/h3-4,6,13-14H,1-2,5,12H2
InChIKeyHEKRYAHWVSMLFT-UHFFFAOYSA-N
XLogP0.09
TPSA136.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 50.09
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

N-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide
CID 60985987
N-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide
CID 60985950
2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide
CID 62415034
2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide
CID 60985877
5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 80742192
2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide
CID 62692698
2-fluoro-6-hydrazinyl-4-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912901
N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide
CID 61060866
5-bromo-2-nitro-N-(oxan-3-yl)benzenesulfonamide
CID 63363283
4-fluoro-2,6-dimethyl-3-nitro-N-(oxetan-3-yl)benzenesulfonamide
CID 107327305
4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99819137
N-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 60985894

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydrazinyl-4-nitro-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-6-hydrazinyl-4-nitro-N-(oxolan-3-yl)benzenesulfonamide (CID 80712583) is 2-fluoro-6-hydrazinyl-4-nitro-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-6-hydrazinyl-4-nitro-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-6-hydrazinyl-4-nitro-N-(oxolan-3-yl)benzenesulfonamide is NNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)NC1CCOC1.
What is the InChIKey of 2-fluoro-6-hydrazinyl-4-nitro-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is HEKRYAHWVSMLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O5S/c11-8-3-7(15(16)17)4-9(13-12)10(8)21(18,19)14-6-1-2-20-5-6/h3-4,6,13-14H,1-2,5,12H2.
What are the key properties of 2-fluoro-6-hydrazinyl-4-nitro-N-(oxolan-3-yl)benzenesulfonamide?
2-fluoro-6-hydrazinyl-4-nitro-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 320.30 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydrazinyl-4-nitro-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 80712583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).