N-(2,4-difluorophenyl)sulfonyl-2-prop-2-enylsulfanylacetamide

C11H11F2NO3S2 — CID 47052050

IUPACN-(2,4-difluorophenyl)sulfonyl-2-prop-2-enylsulfanylacetamide
SMILESC=CCSCC(=O)NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H11F2NO3S2/c1-2-5-18-7-11(15)14-19(16,17)10-4-3-8(12)6-9(10)13/h2-4,6H,1,5,7H2,(H,14,15)
InChIKeySRVDOOIFCNVQMJ-UHFFFAOYSA-N
MW307.34 g/mol
LogP1.69
Rot. Bonds6

About N-(2,4-difluorophenyl)sulfonyl-2-prop-2-enylsulfanylacetamide

N-(2,4-difluorophenyl)sulfonyl-2-prop-2-enylsulfanylacetamide (PubChem CID 47052050) has the molecular formula C11H11F2NO3S2 and a molecular weight of 307.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)sulfonyl-2-prop-2-enylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)sulfonyl-2-prop-2-enylsulfanylacetamide
PubChem CID47052050
Molecular FormulaC11H11F2NO3S2
Molecular Weight307.34 g/mol
Exact Mass307.01
IUPAC NameN-(2,4-difluorophenyl)sulfonyl-2-prop-2-enylsulfanylacetamide
SMILESC=CCSCC(=O)NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H11F2NO3S2/c1-2-5-18-7-11(15)14-19(16,17)10-4-3-8(12)6-9(10)13/h2-4,6H,1,5,7H2,(H,14,15)
InChIKeySRVDOOIFCNVQMJ-UHFFFAOYSA-N
XLogP1.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide
CID 52644992
N-(2,4-difluorophenyl)sulfonyl-3-ethylsulfanylpropanamide
CID 47052052
N-(2,4-difluorophenyl)sulfonyl-3-(2-methylpropoxy)propanamide
CID 51086024
(2S)-2-[(2,4-difluorophenyl)sulfonylamino]pentanedioic acid
CID 61144131
N-(3-chloro-4-fluorophenyl)-2-prop-2-enylsulfanylacetamide
CID 3393731
3-fluoro-4-(2-prop-2-enylsulfanylethylsulfamoyl)benzenesulfonyl chloride
CID 106428409
2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid
CID 60661324
2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774544
1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 167882186
2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 60895838
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
4-fluoro-3-(2-prop-2-enylsulfanylethylsulfamoyl)benzoic acid
CID 106426830

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)sulfonyl-2-prop-2-enylsulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)sulfonyl-2-prop-2-enylsulfanylacetamide (CID 47052050) is N-(2,4-difluorophenyl)sulfonyl-2-prop-2-enylsulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)sulfonyl-2-prop-2-enylsulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)sulfonyl-2-prop-2-enylsulfanylacetamide is C=CCSCC(=O)NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)sulfonyl-2-prop-2-enylsulfanylacetamide?
The InChIKey is SRVDOOIFCNVQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3S2/c1-2-5-18-7-11(15)14-19(16,17)10-4-3-8(12)6-9(10)13/h2-4,6H,1,5,7H2,(H,14,15).
What are the key properties of N-(2,4-difluorophenyl)sulfonyl-2-prop-2-enylsulfanylacetamide?
N-(2,4-difluorophenyl)sulfonyl-2-prop-2-enylsulfanylacetamide has a molecular weight of 307.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)sulfonyl-2-prop-2-enylsulfanylacetamide is sourced from PubChem (CID 47052050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).