N-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide

C11H11N3O5S2 — CID 106436200

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NCC(O)c2ccsc2)cn1
InChIInChI=1S/C11H11N3O5S2/c15-10(8-3-4-20-7-8)6-13-21(18,19)9-1-2-11(12-5-9)14(16)17/h1-5,7,10,13,15H,6H2
InChIKeyNIISIUACSDHLNZ-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.06
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide (PubChem CID 106436200) has the molecular formula C11H11N3O5S2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide
PubChem CID106436200
Molecular FormulaC11H11N3O5S2
Molecular Weight329.36 g/mol
Exact Mass329.01
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NCC(O)c2ccsc2)cn1
InChIInChI=1S/C11H11N3O5S2/c15-10(8-3-4-20-7-8)6-13-21(18,19)9-1-2-11(12-5-9)14(16)17/h1-5,7,10,13,15H,6H2
InChIKeyNIISIUACSDHLNZ-UHFFFAOYSA-N
XLogP1.06
TPSA122.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.06
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

4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496588
3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 103916544
N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide
CID 113351389
N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide
CID 114188652
N-(2-hydroxy-2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103916552
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide
CID 106434406
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide
CID 104600318
3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 106434424
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide
CID 90496616
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496558
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide
CID 103916531
2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol
CID 102846389

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide (CID 106436200) is N-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)NCC(O)c2ccsc2)cn1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide?
The InChIKey is NIISIUACSDHLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5S2/c15-10(8-3-4-20-7-8)6-13-21(18,19)9-1-2-11(12-5-9)14(16)17/h1-5,7,10,13,15H,6H2.
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide has a molecular weight of 329.36 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide is sourced from PubChem (CID 106436200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).