N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide

C10H12BrF2NO3S — CID 113271438

IUPACN-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NCCOCCBr)c1cc(F)ccc1F
InChIInChI=1S/C10H12BrF2NO3S/c11-3-5-17-6-4-14-18(15,16)10-7-8(12)1-2-9(10)13/h1-2,7,14H,3-6H2
InChIKeyCFRVXBNXFKUTFM-UHFFFAOYSA-N
MW344.18 g/mol
LogP1.65
Rot. Bonds7

About N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide

N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide (PubChem CID 113271438) has the molecular formula C10H12BrF2NO3S and a molecular weight of 344.18 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide
PubChem CID113271438
Molecular FormulaC10H12BrF2NO3S
Molecular Weight344.18 g/mol
Exact Mass342.97
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NCCOCCBr)c1cc(F)ccc1F
InChIInChI=1S/C10H12BrF2NO3S/c11-3-5-17-6-4-14-18(15,16)10-7-8(12)1-2-9(10)13/h1-2,7,14H,3-6H2
InChIKeyCFRVXBNXFKUTFM-UHFFFAOYSA-N
XLogP1.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 51.65
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'}

Analyze N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide 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-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide
CID 106305837
2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457271
N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide
CID 78808057
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 55083819
2-bromo-4-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 113258225
N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide
CID 107844397
2-[2-[(2,5-difluorophenyl)sulfonylmethylamino]ethoxy]acetic acid
CID 69319429
N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide
CID 65032947
N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide
CID 106135621
5-amino-2-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464982
2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide
CID 61171428

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide (CID 113271438) is N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide is O=S(=O)(NCCOCCBr)c1cc(F)ccc1F.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is CFRVXBNXFKUTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO3S/c11-3-5-17-6-4-14-18(15,16)10-7-8(12)1-2-9(10)13/h1-2,7,14H,3-6H2.
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide?
N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 344.18 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 113271438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).