5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide

C11H12N4O4S2 — CID 80730553

IUPAC5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
SMILESNc1sc(S(=O)(=O)NCCc2ccncc2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O4S2/c12-11-9(15(16)17)7-10(20-11)21(18,19)14-6-3-8-1-4-13-5-2-8/h1-2,4-5,7,14H,3,6,12H2
InChIKeyDNYSGVAYURKICR-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.15
Rot. Bonds6

About 5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide

5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide (PubChem CID 80730553) has the molecular formula C11H12N4O4S2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
PubChem CID80730553
Molecular FormulaC11H12N4O4S2
Molecular Weight328.38 g/mol
Exact Mass328.03
IUPAC Name5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
SMILESNc1sc(S(=O)(=O)NCCc2ccncc2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O4S2/c12-11-9(15(16)17)7-10(20-11)21(18,19)14-6-3-8-1-4-13-5-2-8/h1-2,4-5,7,14H,3,6,12H2
InChIKeyDNYSGVAYURKICR-UHFFFAOYSA-N
XLogP1.15
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.15
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-imidazol-1-ylpropyl)-4-nitrothiophene-2-sulfonamide
CID 80730323
5-amino-4-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 80746615
5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide
CID 106049683
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-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide
CID 112729910
5-chloro-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 80742367
5-amino-N-[2-(diethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80746263
5-amino-N-[(4-chlorophenyl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80745499
5-amino-4-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106432828
5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-nitrothiophene-2-sulfonamide
CID 80747419

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide (CID 80730553) is 5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide is Nc1sc(S(=O)(=O)NCCc2ccncc2)cc1[N+](=O)[O-].
What is the InChIKey of 5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide?
The InChIKey is DNYSGVAYURKICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S2/c12-11-9(15(16)17)7-10(20-11)21(18,19)14-6-3-8-1-4-13-5-2-8/h1-2,4-5,7,14H,3,6,12H2.
What are the key properties of 5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide?
5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide has a molecular weight of 328.38 g/mol, XLogP of 1.15, 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-pyridin-4-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80730553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).