5-amino-4-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide

C7H8F3N3O4S3 — CID 106432828

IUPAC5-amino-4-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
SMILESNc1sc(S(=O)(=O)NCCSC(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H8F3N3O4S3/c8-7(9,10)18-2-1-12-20(16,17)5-3-4(13(14)15)6(11)19-5/h3,12H,1-2,11H2
InChIKeyGFVNOAYWKPFGGZ-UHFFFAOYSA-N
MW351.35 g/mol
LogP1.77
Rot. Bonds6

About 5-amino-4-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide

5-amino-4-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide (PubChem CID 106432828) has the molecular formula C7H8F3N3O4S3 and a molecular weight of 351.35 g/mol. Its IUPAC name is 5-amino-4-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-amino-4-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
PubChem CID106432828
Molecular FormulaC7H8F3N3O4S3
Molecular Weight351.35 g/mol
Exact Mass350.96
IUPAC Name5-amino-4-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
SMILESNc1sc(S(=O)(=O)NCCSC(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H8F3N3O4S3/c8-7(9,10)18-2-1-12-20(16,17)5-3-4(13(14)15)6(11)19-5/h3,12H,1-2,11H2
InChIKeyGFVNOAYWKPFGGZ-UHFFFAOYSA-N
XLogP1.77
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-amino-4-nitro-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide
CID 115522052
5-amino-N-ethyl-4-nitrothiophene-2-sulfonamide
CID 80747001
5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80746787
2-[(5-amino-4-nitrothiophen-2-yl)sulfonylamino]ethylurea
CID 83114819
5-amino-N-(2-cyclopentylethyl)-4-nitrothiophene-2-sulfonamide
CID 80746430
5-amino-N-[2-(diethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80746263
5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-nitrothiophene-2-sulfonamide
CID 80747419
5-amino-4-nitro-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide
CID 80731215
5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
CID 80730553
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106425735
5-amino-N-[(3-methylthiophen-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80747034
5-amino-N-(3-imidazol-1-ylpropyl)-4-nitrothiophene-2-sulfonamide
CID 80730323

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-amino-4-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide (CID 106432828) is 5-amino-4-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-amino-4-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-amino-4-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide is Nc1sc(S(=O)(=O)NCCSC(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 5-amino-4-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is GFVNOAYWKPFGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O4S3/c8-7(9,10)18-2-1-12-20(16,17)5-3-4(13(14)15)6(11)19-5/h3,12H,1-2,11H2.
What are the key properties of 5-amino-4-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide?
5-amino-4-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 351.35 g/mol, XLogP of 1.77, 6 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-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106432828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).