5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide

C8H7N3O4S3 — CID 80746827

IUPAC5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide
SMILESNc1sc(S(=O)(=O)Nc2ccsc2)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7N3O4S3/c9-8-6(11(12)13)3-7(17-8)18(14,15)10-5-1-2-16-4-5/h1-4,10H,9H2
InChIKeyYLVJOLKWUINATG-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.10
Rot. Bonds4

About 5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide

5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide (PubChem CID 80746827) has the molecular formula C8H7N3O4S3 and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide
PubChem CID80746827
Molecular FormulaC8H7N3O4S3
Molecular Weight305.36 g/mol
Exact Mass304.96
IUPAC Name5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide
SMILESNc1sc(S(=O)(=O)Nc2ccsc2)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7N3O4S3/c9-8-6(11(12)13)3-7(17-8)18(14,15)10-5-1-2-16-4-5/h1-4,10H,9H2
InChIKeyYLVJOLKWUINATG-UHFFFAOYSA-N
XLogP2.10
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(3,5-difluorophenyl)-4-nitrothiophene-2-sulfonamide
CID 80744953
5-amino-N-(4-bromo-3-chlorophenyl)-4-nitrothiophene-2-sulfonamide
CID 107616503
5-amino-N-(3-fluoro-5-methylphenyl)-4-nitrothiophene-2-sulfonamide
CID 80727272
5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
CID 80746819
5-amino-N-(2,3-dichlorophenyl)-4-nitrothiophene-2-sulfonamide
CID 80744637
5-amino-N-ethyl-4-nitrothiophene-2-sulfonamide
CID 80747001
5-amino-N',N'-dimethyl-4-nitrothiophene-2-sulfonohydrazide
CID 83023425
4-(methylamino)-2-nitro-N-thiophen-3-ylbenzenesulfonamide
CID 66355471
5-amino-N-(4-fluoro-2-methylphenyl)-4-nitrothiophene-2-sulfonamide
CID 80744952
5-amino-N-(2,2-dicyclopropylethyl)-4-nitrothiophene-2-sulfonamide
CID 80727843
5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide
CID 80746501
5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-nitrothiophene-2-sulfonamide
CID 114389272

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide?
The IUPAC name of 5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide (CID 80746827) is 5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide is Nc1sc(S(=O)(=O)Nc2ccsc2)cc1[N+](=O)[O-].
What is the InChIKey of 5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide?
The InChIKey is YLVJOLKWUINATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O4S3/c9-8-6(11(12)13)3-7(17-8)18(14,15)10-5-1-2-16-4-5/h1-4,10H,9H2.
What are the key properties of 5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide?
5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide is sourced from PubChem (CID 80746827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).