N-(2-bromoethyl)-5-chloro-N-(2,2-difluoroethyl)thiophene-2-sulfonamide

C8H9BrClF2NO2S2 — CID 107492701

IUPACN-(2-bromoethyl)-5-chloro-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(Cl)s1)N(CCBr)CC(F)F
InChIInChI=1S/C8H9BrClF2NO2S2/c9-3-4-13(5-7(11)12)17(14,15)8-2-1-6(10)16-8/h1-2,7H,3-5H2
InChIKeyARTFPFHTBQKOCM-UHFFFAOYSA-N
MW368.65 g/mol
LogP3.05
Rot. Bonds6

About N-(2-bromoethyl)-5-chloro-N-(2,2-difluoroethyl)thiophene-2-sulfonamide

N-(2-bromoethyl)-5-chloro-N-(2,2-difluoroethyl)thiophene-2-sulfonamide (PubChem CID 107492701) has the molecular formula C8H9BrClF2NO2S2 and a molecular weight of 368.65 g/mol. Its IUPAC name is N-(2-bromoethyl)-5-chloro-N-(2,2-difluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-5-chloro-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
PubChem CID107492701
Molecular FormulaC8H9BrClF2NO2S2
Molecular Weight368.65 g/mol
Exact Mass366.89
IUPAC NameN-(2-bromoethyl)-5-chloro-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(Cl)s1)N(CCBr)CC(F)F
InChIInChI=1S/C8H9BrClF2NO2S2/c9-3-4-13(5-7(11)12)17(14,15)8-2-1-6(10)16-8/h1-2,7H,3-5H2
InChIKeyARTFPFHTBQKOCM-UHFFFAOYSA-N
XLogP3.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.65
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-5-chloro-N-(2,2-difluoroethyl)thiophene-2-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-5-chloro-N-(2,2-difluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-5-chloro-N-(2,2-difluoroethyl)thiophene-2-sulfonamide (CID 107492701) is N-(2-bromoethyl)-5-chloro-N-(2,2-difluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-5-chloro-N-(2,2-difluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-5-chloro-N-(2,2-difluoroethyl)thiophene-2-sulfonamide is O=S(=O)(c1ccc(Cl)s1)N(CCBr)CC(F)F.
What is the InChIKey of N-(2-bromoethyl)-5-chloro-N-(2,2-difluoroethyl)thiophene-2-sulfonamide?
The InChIKey is ARTFPFHTBQKOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClF2NO2S2/c9-3-4-13(5-7(11)12)17(14,15)8-2-1-6(10)16-8/h1-2,7H,3-5H2.
What are the key properties of N-(2-bromoethyl)-5-chloro-N-(2,2-difluoroethyl)thiophene-2-sulfonamide?
N-(2-bromoethyl)-5-chloro-N-(2,2-difluoroethyl)thiophene-2-sulfonamide has a molecular weight of 368.65 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-5-chloro-N-(2,2-difluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 107492701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).