5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide

C7H6N4O5S2 — CID 80746819

IUPAC5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
SMILESNc1sc(S(=O)(=O)Nc2ccon2)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6N4O5S2/c8-7-4(11(12)13)3-6(17-7)18(14,15)10-5-1-2-16-9-5/h1-3H,8H2,(H,9,10)
InChIKeyBVEUSPZDHDFPBV-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.03
Rot. Bonds4

About 5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide

5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide (PubChem CID 80746819) has the molecular formula C7H6N4O5S2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
PubChem CID80746819
Molecular FormulaC7H6N4O5S2
Molecular Weight290.28 g/mol
Exact Mass289.98
IUPAC Name5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
SMILESNc1sc(S(=O)(=O)Nc2ccon2)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6N4O5S2/c8-7-4(11(12)13)3-6(17-7)18(14,15)10-5-1-2-16-9-5/h1-3H,8H2,(H,9,10)
InChIKeyBVEUSPZDHDFPBV-UHFFFAOYSA-N
XLogP1.03
TPSA141.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide
CID 80746501
5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902722
5-amino-N-(5-bromopyrazin-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80747323
5-amino-N-(3-fluoro-4-pyridinyl)-4-nitrothiophene-2-sulfonamide
CID 107595435
5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide
CID 80746827
5-amino-N',N'-dimethyl-4-nitrothiophene-2-sulfonohydrazide
CID 83023425
5-amino-N-(3,5-difluorophenyl)-4-nitrothiophene-2-sulfonamide
CID 80744953
5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-nitrothiophene-2-sulfonamide
CID 114389272
5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902360
5-amino-N-(2,3-dichlorophenyl)-4-nitrothiophene-2-sulfonamide
CID 80744637
5-amino-N-ethyl-4-nitrothiophene-2-sulfonamide
CID 80747001
5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
CID 80730553

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide (CID 80746819) is 5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide is Nc1sc(S(=O)(=O)Nc2ccon2)cc1[N+](=O)[O-].
What is the InChIKey of 5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is BVEUSPZDHDFPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O5S2/c8-7-4(11(12)13)3-6(17-7)18(14,15)10-5-1-2-16-9-5/h1-3H,8H2,(H,9,10).
What are the key properties of 5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 290.28 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 80746819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).