5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide

C12H12INO2S2 — CID 47309223

IUPAC5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(I)cc2)s1
InChIInChI=1S/C12H12INO2S2/c1-2-11-7-8-12(17-11)18(15,16)14-10-5-3-9(13)4-6-10/h3-8,14H,2H2,1H3
InChIKeyWRHBDSURMAYIDD-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.72
Rot. Bonds4

About 5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide

5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide (PubChem CID 47309223) has the molecular formula C12H12INO2S2 and a molecular weight of 393.27 g/mol. Its IUPAC name is 5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
PubChem CID47309223
Molecular FormulaC12H12INO2S2
Molecular Weight393.27 g/mol
Exact Mass392.94
IUPAC Name5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(I)cc2)s1
InChIInChI=1S/C12H12INO2S2/c1-2-11-7-8-12(17-11)18(15,16)14-10-5-3-9(13)4-6-10/h3-8,14H,2H2,1H3
InChIKeyWRHBDSURMAYIDD-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide
CID 47309319
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
5-ethyl-N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 61454703
5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 106029593
N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 113098917
N-(4-amino-3-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 54984022
5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 112981153
N-(6-chloro-3-pyridinyl)-5-ethylthiophene-2-sulfonamide
CID 113231899
N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 107287170
5-ethyl-N-[4-(1H-pyrazol-5-yl)phenyl]thiophene-2-sulfonamide
CID 110732438
N-(3-amino-4-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454417

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide (CID 47309223) is 5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(I)cc2)s1.
What is the InChIKey of 5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide?
The InChIKey is WRHBDSURMAYIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO2S2/c1-2-11-7-8-12(17-11)18(15,16)14-10-5-3-9(13)4-6-10/h3-8,14H,2H2,1H3.
What are the key properties of 5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide?
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide has a molecular weight of 393.27 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 47309223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).