2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide

C7H8Cl2INO2S2 — CID 114504676

IUPAC2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCCCI)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H8Cl2INO2S2/c8-6-4-5(7(9)14-6)15(12,13)11-3-1-2-10/h4,11H,1-3H2
InChIKeyLHIOEZDXNNKNNG-UHFFFAOYSA-N
MW400.09 g/mol
LogP3.16
Rot. Bonds5

About 2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide

2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide (PubChem CID 114504676) has the molecular formula C7H8Cl2INO2S2 and a molecular weight of 400.09 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
PubChem CID114504676
Molecular FormulaC7H8Cl2INO2S2
Molecular Weight400.09 g/mol
Exact Mass398.84
IUPAC Name2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCCCI)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H8Cl2INO2S2/c8-6-4-5(7(9)14-6)15(12,13)11-3-1-2-10/h4,11H,1-3H2
InChIKeyLHIOEZDXNNKNNG-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.09
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167116
2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide
CID 61132382
2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide
CID 107319312
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid
CID 114285508
methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate
CID 43405598
N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide
CID 114297747
N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
CID 114296020
2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide
CID 3871882
2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide
CID 114163439
2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide
CID 39792284
N-benzyl-2,5-dichlorothiophene-3-sulfonamide
CID 39791947

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide (CID 114504676) is 2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide is O=S(=O)(NCCCI)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide?
The InChIKey is LHIOEZDXNNKNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2INO2S2/c8-6-4-5(7(9)14-6)15(12,13)11-3-1-2-10/h4,11H,1-3H2.
What are the key properties of 2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide has a molecular weight of 400.09 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide is sourced from PubChem (CID 114504676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).