N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide

C8H10BrCl2NO3S2 — CID 114296020

IUPACN-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
SMILESO=S(=O)(NCCOCCBr)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H10BrCl2NO3S2/c9-1-3-15-4-2-12-17(13,14)6-5-7(10)16-8(6)11/h5,12H,1-4H2
InChIKeyOXYZFMGIFFICBA-UHFFFAOYSA-N
MW383.12 g/mol
LogP2.74
Rot. Bonds7

About N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide

N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 114296020) has the molecular formula C8H10BrCl2NO3S2 and a molecular weight of 383.12 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
PubChem CID114296020
Molecular FormulaC8H10BrCl2NO3S2
Molecular Weight383.12 g/mol
Exact Mass380.87
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
SMILESO=S(=O)(NCCOCCBr)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H10BrCl2NO3S2/c9-1-3-15-4-2-12-17(13,14)6-5-7(10)16-8(6)11/h5,12H,1-4H2
InChIKeyOXYZFMGIFFICBA-UHFFFAOYSA-N
XLogP2.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.12
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
CID 61031745
2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
CID 114504676
N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167116
N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide
CID 114297747
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide
CID 114163439
2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide
CID 61132382
2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide
CID 107319312
N-[2-(2-bromoethoxy)ethyl]-3-chlorobenzenesulfonamide
CID 114296046
N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide
CID 113271438
2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide
CID 34111661
2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide
CID 113343427

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide (CID 114296020) is N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide is O=S(=O)(NCCOCCBr)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is OXYZFMGIFFICBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrCl2NO3S2/c9-1-3-15-4-2-12-17(13,14)6-5-7(10)16-8(6)11/h5,12H,1-4H2.
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide?
N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 383.12 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 114296020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).