N-[2-(4-chlorophenyl)sulfanylethyl]-2,6-difluorobenzenesulfonamide

C14H12ClF2NO2S2 — CID 8801394

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-2,6-difluorobenzenesulfonamide
SMILESO=S(=O)(NCCSc1ccc(Cl)cc1)c1c(F)cccc1F
InChIInChI=1S/C14H12ClF2NO2S2/c15-10-4-6-11(7-5-10)21-9-8-18-22(19,20)14-12(16)2-1-3-13(14)17/h1-7,18H,8-9H2
InChIKeyJXKFXTKLIPOFFY-UHFFFAOYSA-N
MW363.84 g/mol
LogP3.69
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfanylethyl]-2,6-difluorobenzenesulfonamide

N-[2-(4-chlorophenyl)sulfanylethyl]-2,6-difluorobenzenesulfonamide (PubChem CID 8801394) has the molecular formula C14H12ClF2NO2S2 and a molecular weight of 363.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-2,6-difluorobenzenesulfonamide
PubChem CID8801394
Molecular FormulaC14H12ClF2NO2S2
Molecular Weight363.84 g/mol
Exact Mass363.00
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-2,6-difluorobenzenesulfonamide
SMILESO=S(=O)(NCCSc1ccc(Cl)cc1)c1c(F)cccc1F
InChIInChI=1S/C14H12ClF2NO2S2/c15-10-4-6-11(7-5-10)21-9-8-18-22(19,20)14-12(16)2-1-3-13(14)17/h1-7,18H,8-9H2
InChIKeyJXKFXTKLIPOFFY-UHFFFAOYSA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 53.69
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-aminoethyl)-2,6-difluorobenzenesulfonamide
CID 43603529
6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide
CID 28533546
2,6-difluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide
CID 103834827
4-chloro-N-[2-(3,5-difluoro-4-hydroxyphenyl)sulfanylethyl]benzenesulfonamide
CID 10339700
methyl 3-[2-(4-chlorophenyl)sulfanylethylsulfamoyl]benzoate
CID 31765421
4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide
CID 8801384
N-[2-(4-chlorophenyl)sulfanylethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55903441
2-[(2,6-difluorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716783
N-[2-(4-chlorophenyl)sulfanylethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 31078383
2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 3851182
1-[2-[[butyl(methyl)sulfamoyl]amino]ethylsulfanyl]-4-chlorobenzene
CID 47171220
2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3847681

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2,6-difluorobenzenesulfonamide (CID 8801394) is N-[2-(4-chlorophenyl)sulfanylethyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-2,6-difluorobenzenesulfonamide is O=S(=O)(NCCSc1ccc(Cl)cc1)c1c(F)cccc1F.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is JXKFXTKLIPOFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO2S2/c15-10-4-6-11(7-5-10)21-9-8-18-22(19,20)14-12(16)2-1-3-13(14)17/h1-7,18H,8-9H2.
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-2,6-difluorobenzenesulfonamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 363.84 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 8801394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).