3,5-difluoro-4-pent-4-enoxybenzenesulfonamide

C11H13F2NO3S — CID 82919223

IUPAC3,5-difluoro-4-pent-4-enoxybenzenesulfonamide
SMILESC=CCCCOc1c(F)cc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H13F2NO3S/c1-2-3-4-5-17-11-9(12)6-8(7-10(11)13)18(14,15)16/h2,6-7H,1,3-5H2,(H2,14,15,16)
InChIKeyGZEWYKCZHHCEIG-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.96
Rot. Bonds6

About 3,5-difluoro-4-pent-4-enoxybenzenesulfonamide

3,5-difluoro-4-pent-4-enoxybenzenesulfonamide (PubChem CID 82919223) has the molecular formula C11H13F2NO3S and a molecular weight of 277.29 g/mol. Its IUPAC name is 3,5-difluoro-4-pent-4-enoxybenzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-4-pent-4-enoxybenzenesulfonamide
PubChem CID82919223
Molecular FormulaC11H13F2NO3S
Molecular Weight277.29 g/mol
Exact Mass277.06
IUPAC Name3,5-difluoro-4-pent-4-enoxybenzenesulfonamide
SMILESC=CCCCOc1c(F)cc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H13F2NO3S/c1-2-3-4-5-17-11-9(12)6-8(7-10(11)13)18(14,15)16/h2,6-7H,1,3-5H2,(H2,14,15,16)
InChIKeyGZEWYKCZHHCEIG-UHFFFAOYSA-N
XLogP1.96
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-but-3-enoxy-3,5-dimethylbenzenesulfonamide
CID 82913781
4-(2-butoxyethoxy)-3,5-difluorobenzenesulfonamide
CID 81267946
3,5-difluoro-4-(3-methylbut-2-enoxy)benzenesulfonamide
CID 82918852
3,5-dimethyl-2-pent-4-enoxybenzenesulfonamide
CID 82914810
3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonamide
CID 82918928
3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide
CID 82919006
2-pent-4-enoxy-5-sulfamoylbenzoic acid
CID 79114371
5-bromo-2-fluoro-4-hept-6-enoxybenzenesulfonamide
CID 107007701
N-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine
CID 79892106
N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide
CID 82916178
3-bromo-4-hept-6-enoxybenzenesulfonamide
CID 107007678
1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine
CID 107006244

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-pent-4-enoxybenzenesulfonamide?
The IUPAC name of 3,5-difluoro-4-pent-4-enoxybenzenesulfonamide (CID 82919223) is 3,5-difluoro-4-pent-4-enoxybenzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-4-pent-4-enoxybenzenesulfonamide?
The canonical SMILES for 3,5-difluoro-4-pent-4-enoxybenzenesulfonamide is C=CCCCOc1c(F)cc(S(N)(=O)=O)cc1F.
What is the InChIKey of 3,5-difluoro-4-pent-4-enoxybenzenesulfonamide?
The InChIKey is GZEWYKCZHHCEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3S/c1-2-3-4-5-17-11-9(12)6-8(7-10(11)13)18(14,15)16/h2,6-7H,1,3-5H2,(H2,14,15,16).
What are the key properties of 3,5-difluoro-4-pent-4-enoxybenzenesulfonamide?
3,5-difluoro-4-pent-4-enoxybenzenesulfonamide has a molecular weight of 277.29 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-pent-4-enoxybenzenesulfonamide is sourced from PubChem (CID 82919223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).