5-ethyl-N-(2-hydroxy-6-nitrophenyl)thiophene-2-sulfonamide

C12H12N2O5S2 — CID 107681550

IUPAC5-ethyl-N-(2-hydroxy-6-nitrophenyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2c(O)cccc2[N+](=O)[O-])s1
InChIInChI=1S/C12H12N2O5S2/c1-2-8-6-7-11(20-8)21(18,19)13-12-9(14(16)17)4-3-5-10(12)15/h3-7,13,15H,2H2,1H3
InChIKeyYELQAKZMOWURPR-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.73
Rot. Bonds5

About 5-ethyl-N-(2-hydroxy-6-nitrophenyl)thiophene-2-sulfonamide

5-ethyl-N-(2-hydroxy-6-nitrophenyl)thiophene-2-sulfonamide (PubChem CID 107681550) has the molecular formula C12H12N2O5S2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-ethyl-N-(2-hydroxy-6-nitrophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(2-hydroxy-6-nitrophenyl)thiophene-2-sulfonamide
PubChem CID107681550
Molecular FormulaC12H12N2O5S2
Molecular Weight328.37 g/mol
Exact Mass328.02
IUPAC Name5-ethyl-N-(2-hydroxy-6-nitrophenyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2c(O)cccc2[N+](=O)[O-])s1
InChIInChI=1S/C12H12N2O5S2/c1-2-8-6-7-11(20-8)21(18,19)13-12-9(14(16)17)4-3-5-10(12)15/h3-7,13,15H,2H2,1H3
InChIKeyYELQAKZMOWURPR-UHFFFAOYSA-N
XLogP2.73
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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

1-hydroxy-3-nitro-2-(sulfamoylamino)benzene
CID 107681501
1-bromo-N-(2-hydroxy-6-nitrophenyl)methanesulfonamide
CID 107681657
5-ethyl-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 75517993
N-(2-hydroxy-6-nitrophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 107681575
4-[(2-hydroxy-6-nitrophenyl)sulfamoyl]butanoic acid
CID 107681703
N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-6-nitroaniline
CID 81310881
5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide
CID 61454327
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 47309123
N-(2-hydroxy-6-nitrophenyl)-1-methylimidazole-4-sulfonamide
CID 107681543
N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide
CID 47309319
N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide
CID 61454174

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-hydroxy-6-nitrophenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(2-hydroxy-6-nitrophenyl)thiophene-2-sulfonamide (CID 107681550) is 5-ethyl-N-(2-hydroxy-6-nitrophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(2-hydroxy-6-nitrophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(2-hydroxy-6-nitrophenyl)thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2c(O)cccc2[N+](=O)[O-])s1.
What is the InChIKey of 5-ethyl-N-(2-hydroxy-6-nitrophenyl)thiophene-2-sulfonamide?
The InChIKey is YELQAKZMOWURPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S2/c1-2-8-6-7-11(20-8)21(18,19)13-12-9(14(16)17)4-3-5-10(12)15/h3-7,13,15H,2H2,1H3.
What are the key properties of 5-ethyl-N-(2-hydroxy-6-nitrophenyl)thiophene-2-sulfonamide?
5-ethyl-N-(2-hydroxy-6-nitrophenyl)thiophene-2-sulfonamide has a molecular weight of 328.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-hydroxy-6-nitrophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 107681550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).