5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide

C14H17IN2O2S2 — CID 106029593

IUPAC5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)Nc2ccc(I)cc2)s1
InChIInChI=1S/C14H17IN2O2S2/c1-2-16-10-9-13-7-8-14(20-13)21(18,19)17-12-5-3-11(15)4-6-12/h3-8,16-17H,2,9-10H2,1H3
InChIKeyIRBSYIPQJHEUDX-UHFFFAOYSA-N
MW436.34 g/mol
LogP3.31
Rot. Bonds7

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

5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide (PubChem CID 106029593) has the molecular formula C14H17IN2O2S2 and a molecular weight of 436.34 g/mol. Its IUPAC name is 5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide
PubChem CID106029593
Molecular FormulaC14H17IN2O2S2
Molecular Weight436.34 g/mol
Exact Mass435.98
IUPAC Name5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)Nc2ccc(I)cc2)s1
InChIInChI=1S/C14H17IN2O2S2/c1-2-16-10-9-13-7-8-14(20-13)21(18,19)17-12-5-3-11(15)4-6-12/h3-8,16-17H,2,9-10H2,1H3
InChIKeyIRBSYIPQJHEUDX-UHFFFAOYSA-N
XLogP3.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060756
5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088598
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060431
N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 107287170
N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106061370
5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide
CID 106063105
methyl N-[2-[5-[(4-ethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]carbamate
CID 119045359
5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018814
N-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106062129
5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide
CID 106080577
N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 106911287

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide (CID 106029593) is 5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide is CCNCCc1ccc(S(=O)(=O)Nc2ccc(I)cc2)s1.
What is the InChIKey of 5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide?
The InChIKey is IRBSYIPQJHEUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN2O2S2/c1-2-16-10-9-13-7-8-14(20-13)21(18,19)17-12-5-3-11(15)4-6-12/h3-8,16-17H,2,9-10H2,1H3.
What are the key properties of 5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide?
5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide has a molecular weight of 436.34 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106029593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).