4-(2-butoxyethoxy)-3,5-difluorobenzenesulfonamide

C12H17F2NO4S — CID 81267946

IUPAC4-(2-butoxyethoxy)-3,5-difluorobenzenesulfonamide
SMILESCCCCOCCOc1c(F)cc(S(N)(=O)=O)cc1F
InChIInChI=1S/C12H17F2NO4S/c1-2-3-4-18-5-6-19-12-10(13)7-9(8-11(12)14)20(15,16)17/h7-8H,2-6H2,1H3,(H2,15,16,17)
InChIKeyYEOAIOPDVWXILS-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.81
Rot. Bonds8

About 4-(2-butoxyethoxy)-3,5-difluorobenzenesulfonamide

4-(2-butoxyethoxy)-3,5-difluorobenzenesulfonamide (PubChem CID 81267946) has the molecular formula C12H17F2NO4S and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(2-butoxyethoxy)-3,5-difluorobenzenesulfonamide
PubChem CID81267946
Molecular FormulaC12H17F2NO4S
Molecular Weight309.33 g/mol
Exact Mass309.08
IUPAC Name4-(2-butoxyethoxy)-3,5-difluorobenzenesulfonamide
SMILESCCCCOCCOc1c(F)cc(S(N)(=O)=O)cc1F
InChIInChI=1S/C12H17F2NO4S/c1-2-3-4-18-5-6-19-12-10(13)7-9(8-11(12)14)20(15,16)17/h7-8H,2-6H2,1H3,(H2,15,16,17)
InChIKeyYEOAIOPDVWXILS-UHFFFAOYSA-N
XLogP1.81
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-4-pent-4-enoxybenzenesulfonamide
CID 82919223
N-[[4-(2-butoxyethoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 79891496
3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide
CID 82919006
3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonamide
CID 82918928
3,5-dichloro-4-(2-ethoxyethoxy)benzenesulfonamide
CID 60801262
4-(2-ethoxyethoxy)-3-fluorobenzenesulfonamide
CID 43457341
3-fluoro-4-octoxybenzenesulfonamide
CID 43342399
3,5-difluoro-4-(3-methylbut-2-enoxy)benzenesulfonamide
CID 82918852
4-(2-butoxyethylsulfonyl)-2-fluoroaniline
CID 81187538
4-butoxy-3,5-difluorobenzaldehyde
CID 79018256
N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide
CID 82916178
2-butoxyethyl 3-chloro-5-sulfamoylbenzoate
CID 65380469

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxy)-3,5-difluorobenzenesulfonamide?
The IUPAC name of 4-(2-butoxyethoxy)-3,5-difluorobenzenesulfonamide (CID 81267946) is 4-(2-butoxyethoxy)-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for 4-(2-butoxyethoxy)-3,5-difluorobenzenesulfonamide?
The canonical SMILES for 4-(2-butoxyethoxy)-3,5-difluorobenzenesulfonamide is CCCCOCCOc1c(F)cc(S(N)(=O)=O)cc1F.
What is the InChIKey of 4-(2-butoxyethoxy)-3,5-difluorobenzenesulfonamide?
The InChIKey is YEOAIOPDVWXILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO4S/c1-2-3-4-18-5-6-19-12-10(13)7-9(8-11(12)14)20(15,16)17/h7-8H,2-6H2,1H3,(H2,15,16,17).
What are the key properties of 4-(2-butoxyethoxy)-3,5-difluorobenzenesulfonamide?
4-(2-butoxyethoxy)-3,5-difluorobenzenesulfonamide has a molecular weight of 309.33 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 81267946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).