3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonamide

C11H13F2NO3S — CID 82918928

IUPAC3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonamide
SMILESC=C(CC)COc1c(F)cc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H13F2NO3S/c1-3-7(2)6-17-11-9(12)4-8(5-10(11)13)18(14,15)16/h4-5H,2-3,6H2,1H3,(H2,14,15,16)
InChIKeyYFHGIMBRSCQJCO-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.96
Rot. Bonds5

About 3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonamide

3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonamide (PubChem CID 82918928) has the molecular formula C11H13F2NO3S and a molecular weight of 277.29 g/mol. Its IUPAC name is 3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonamide
PubChem CID82918928
Molecular FormulaC11H13F2NO3S
Molecular Weight277.29 g/mol
Exact Mass277.06
IUPAC Name3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonamide
SMILESC=C(CC)COc1c(F)cc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H13F2NO3S/c1-3-7(2)6-17-11-9(12)4-8(5-10(11)13)18(14,15)16/h4-5H,2-3,6H2,1H3,(H2,14,15,16)
InChIKeyYFHGIMBRSCQJCO-UHFFFAOYSA-N
XLogP1.96
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonyl chloride
CID 82921830
3,5-dimethyl-4-(2-methylidenebutoxy)benzenesulfonamide
CID 82914223
3-fluoro-2-(2-methylidenebutoxy)-5-nitrobenzenesulfonamide
CID 82915285
3,5-difluoro-4-(3-methylbut-2-enoxy)benzenesulfonamide
CID 82918852
4-(2-butoxyethoxy)-3,5-difluorobenzenesulfonamide
CID 81267946
3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide
CID 82919006
3,5-difluoro-4-pent-4-enoxybenzenesulfonamide
CID 82919223
4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
CID 82913558
[3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112608162
3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 81264877
4-(2-methylidenebutoxy)-3-sulfamoylbenzoic acid
CID 82921849
4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82921031

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonamide?
The IUPAC name of 3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonamide (CID 82918928) is 3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonamide is C=C(CC)COc1c(F)cc(S(N)(=O)=O)cc1F.
What is the InChIKey of 3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonamide?
The InChIKey is YFHGIMBRSCQJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3S/c1-3-7(2)6-17-11-9(12)4-8(5-10(11)13)18(14,15)16/h4-5H,2-3,6H2,1H3,(H2,14,15,16).
What are the key properties of 3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonamide?
3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonamide has a molecular weight of 277.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonamide is sourced from PubChem (CID 82918928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).