N-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide

C10H13F2NO2S2 — CID 5100609

IUPACN-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide
SMILESCCSCCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO2S2/c1-2-16-6-5-13-17(14,15)8-3-4-9(11)10(12)7-8/h3-4,7,13H,2,5-6H2,1H3
InChIKeyXYSWMRFNAVVOMJ-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.00
Rot. Bonds6

About N-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide

N-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide (PubChem CID 5100609) has the molecular formula C10H13F2NO2S2 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide
PubChem CID5100609
Molecular FormulaC10H13F2NO2S2
Molecular Weight281.35 g/mol
Exact Mass281.04
IUPAC NameN-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide
SMILESCCSCCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO2S2/c1-2-16-6-5-13-17(14,15)8-3-4-9(11)10(12)7-8/h3-4,7,13H,2,5-6H2,1H3
InChIKeyXYSWMRFNAVVOMJ-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide
CID 62664046
3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663879
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide;hydrochloride
CID 119973477
N-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide
CID 3376302
N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide
CID 6735582
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
3,4-difluoro-N-(6-iodohexyl)benzenesulfonamide
CID 107848959
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide
CID 22207619
N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide
CID 3464514
3,4-difluoro-N-hex-5-ynylbenzenesulfonamide
CID 113255956

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide (CID 5100609) is N-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide is CCSCCNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is XYSWMRFNAVVOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S2/c1-2-16-6-5-13-17(14,15)8-3-4-9(11)10(12)7-8/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of N-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide?
N-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide has a molecular weight of 281.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 5100609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).