2-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonamide

C10H10ClF2NO3S — CID 106439092

IUPAC2-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonamide
SMILESCC(=CCl)COc1c(F)cc(F)cc1S(N)(=O)=O
InChIInChI=1S/C10H10ClF2NO3S/c1-6(4-11)5-17-10-8(13)2-7(12)3-9(10)18(14,15)16/h2-4H,5H2,1H3,(H2,14,15,16)
InChIKeyCWSBIUINQFOWGV-UHFFFAOYSA-N
MW297.71 g/mol
LogP2.13
Rot. Bonds4

About 2-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonamide

2-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonamide (PubChem CID 106439092) has the molecular formula C10H10ClF2NO3S and a molecular weight of 297.71 g/mol. Its IUPAC name is 2-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonamide
PubChem CID106439092
Molecular FormulaC10H10ClF2NO3S
Molecular Weight297.71 g/mol
Exact Mass297.00
IUPAC Name2-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonamide
SMILESCC(=CCl)COc1c(F)cc(F)cc1S(N)(=O)=O
InChIInChI=1S/C10H10ClF2NO3S/c1-6(4-11)5-17-10-8(13)2-7(12)3-9(10)18(14,15)16/h2-4H,5H2,1H3,(H2,14,15,16)
InChIKeyCWSBIUINQFOWGV-UHFFFAOYSA-N
XLogP2.13
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
CID 106439089
4-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonyl chloride
CID 106437252
2-(2,4-difluoro-6-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide
CID 82915817
3-(2,4-difluoro-6-sulfamoylphenoxy)propanamide
CID 82919002
3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 107915015
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonamide
CID 82916465
2-[2-(carbamoylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82921537
3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)benzaldehyde
CID 106438593
2-[(Z)-2,3-dichloroprop-2-enoxy]-3,5-dimethylbenzenesulfonamide
CID 82915155
3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 82915058
2-(3,5-dimethylcyclohexyl)oxy-3,5-difluorobenzenesulfonamide
CID 64729456
3-fluoro-2-(2-methylidenebutoxy)-5-nitrobenzenesulfonamide
CID 82915285

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonamide?
The IUPAC name of 2-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonamide (CID 106439092) is 2-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for 2-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonamide?
The canonical SMILES for 2-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonamide is CC(=CCl)COc1c(F)cc(F)cc1S(N)(=O)=O.
What is the InChIKey of 2-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonamide?
The InChIKey is CWSBIUINQFOWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO3S/c1-6(4-11)5-17-10-8(13)2-7(12)3-9(10)18(14,15)16/h2-4H,5H2,1H3,(H2,14,15,16).
What are the key properties of 2-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonamide?
2-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonamide has a molecular weight of 297.71 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 106439092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).