N-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide

C14H13F2NO3S — CID 113102513

IUPACN-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C14H13F2NO3S/c15-13-7-6-11(10-14(13)16)20-9-8-17-21(18,19)12-4-2-1-3-5-12/h1-7,10,17H,8-9H2
InChIKeyJAYDVEVWQPBTMP-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.32
Rot. Bonds6

About N-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide

N-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide (PubChem CID 113102513) has the molecular formula C14H13F2NO3S and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide
PubChem CID113102513
Molecular FormulaC14H13F2NO3S
Molecular Weight313.33 g/mol
Exact Mass313.06
IUPAC NameN-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C14H13F2NO3S/c15-13-7-6-11(10-14(13)16)20-9-8-17-21(18,19)12-4-2-1-3-5-12/h1-7,10,17H,8-9H2
InChIKeyJAYDVEVWQPBTMP-UHFFFAOYSA-N
XLogP2.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide 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-(3,4-difluorophenoxy)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113102526
N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide
CID 110288244
N-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 30365872
4-fluoro-N-(2-phenoxyethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 30365653
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 32934295
4-methyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 26543228
4-fluoro-3-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099147
N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide
CID 30366250
4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide
CID 9157994
3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 8990569
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide (CID 113102513) is N-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide is O=S(=O)(NCCOc1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of N-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide?
The InChIKey is JAYDVEVWQPBTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3S/c15-13-7-6-11(10-14(13)16)20-9-8-17-21(18,19)12-4-2-1-3-5-12/h1-7,10,17H,8-9H2.
What are the key properties of N-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide?
N-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide has a molecular weight of 313.33 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 113102513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).