2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide

C9H10ClF2NO2S2 — CID 107650616

IUPAC2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide
SMILESO=S(=O)(CCCl)Nc1ccccc1SC(F)F
InChIInChI=1S/C9H10ClF2NO2S2/c10-5-6-17(14,15)13-7-3-1-2-4-8(7)16-9(11)12/h1-4,9,13H,5-6H2
InChIKeyGGIUTVSRCMPXCP-UHFFFAOYSA-N
MW301.77 g/mol
LogP2.98
Rot. Bonds6

About 2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide

2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide (PubChem CID 107650616) has the molecular formula C9H10ClF2NO2S2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide
PubChem CID107650616
Molecular FormulaC9H10ClF2NO2S2
Molecular Weight301.77 g/mol
Exact Mass300.98
IUPAC Name2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide
SMILESO=S(=O)(CCCl)Nc1ccccc1SC(F)F
InChIInChI=1S/C9H10ClF2NO2S2/c10-5-6-17(14,15)13-7-3-1-2-4-8(7)16-9(11)12/h1-4,9,13H,5-6H2
InChIKeyGGIUTVSRCMPXCP-UHFFFAOYSA-N
XLogP2.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-3-(propylamino)propane-1-sulfonamide
CID 106057856
N-(2-tert-butylsulfonylethyl)-2-(difluoromethylsulfanyl)aniline
CID 106722976
3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide
CID 43654163
4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
CID 26968476
2-chloro-N-(2,3-dichlorophenyl)ethanesulfonamide
CID 103609336
2-amino-N-[2-(difluoromethylsulfanyl)phenyl]-4-methylsulfonylbutanamide
CID 43105636
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene
CID 106057875
3-amino-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
CID 29040314
2-(difluoromethylsulfanyl)-N-methylaniline
CID 28573572
3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide
CID 43654272
4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide
CID 106057867
3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide
CID 43653977

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide (CID 107650616) is 2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide is O=S(=O)(CCCl)Nc1ccccc1SC(F)F.
What is the InChIKey of 2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide?
The InChIKey is GGIUTVSRCMPXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO2S2/c10-5-6-17(14,15)13-7-3-1-2-4-8(7)16-9(11)12/h1-4,9,13H,5-6H2.
What are the key properties of 2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide?
2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide has a molecular weight of 301.77 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 107650616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).