5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide

C9H14N4O5S2 — CID 80742192

IUPAC5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide
SMILESNNc1sc(S(=O)(=O)NC2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C9H14N4O5S2/c10-11-9-7(13(14)15)5-8(19-9)20(16,17)12-6-1-3-18-4-2-6/h5-6,11-12H,1-4,10H2
InChIKeyUSAZGDHYRGMQRX-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.40
Rot. Bonds5

About 5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide

5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide (PubChem CID 80742192) has the molecular formula C9H14N4O5S2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide
PubChem CID80742192
Molecular FormulaC9H14N4O5S2
Molecular Weight322.37 g/mol
Exact Mass322.04
IUPAC Name5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide
SMILESNNc1sc(S(=O)(=O)NC2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C9H14N4O5S2/c10-11-9-7(13(14)15)5-8(19-9)20(16,17)12-6-1-3-18-4-2-6/h5-6,11-12H,1-4,10H2
InChIKeyUSAZGDHYRGMQRX-UHFFFAOYSA-N
XLogP0.40
TPSA136.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.40
H-Bond Donors ≤ 53
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

5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 80744883
(5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine
CID 80742394
5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 80741793
N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
CID 80746261
5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide
CID 80736252
5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80741993
4-bromo-3-nitro-N-(oxan-4-yl)benzenesulfonamide
CID 90100934
N-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide
CID 80745979
[5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-3-nitrothiophen-2-yl]hydrazine
CID 80745555
4-amino-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 61300548
5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 79931227
5-hydrazinyl-N-methyl-4-nitro-N-(thiolan-3-yl)thiophene-2-sulfonamide
CID 80741598

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide (CID 80742192) is 5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide is NNc1sc(S(=O)(=O)NC2CCOCC2)cc1[N+](=O)[O-].
What is the InChIKey of 5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide?
The InChIKey is USAZGDHYRGMQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O5S2/c10-11-9-7(13(14)15)5-8(19-9)20(16,17)12-6-1-3-18-4-2-6/h5-6,11-12H,1-4,10H2.
What are the key properties of 5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide?
5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide has a molecular weight of 322.37 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 80742192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).