3,5-difluoro-N-[(E)-pent-3-enyl]benzenesulfonamide

C11H13F2NO2S — CID 115628668

IUPAC3,5-difluoro-N-[(E)-pent-3-enyl]benzenesulfonamide
SMILESC/C=C/CCNS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO2S/c1-2-3-4-5-14-17(15,16)11-7-9(12)6-10(13)8-11/h2-3,6-8,14H,4-5H2,1H3/b3-2+
InChIKeyXLGWAJNUWPGTOT-NSCUHMNNSA-N
MW261.29 g/mol
LogP2.21
Rot. Bonds5

About 3,5-difluoro-N-[(E)-pent-3-enyl]benzenesulfonamide

3,5-difluoro-N-[(E)-pent-3-enyl]benzenesulfonamide (PubChem CID 115628668) has the molecular formula C11H13F2NO2S and a molecular weight of 261.29 g/mol. Its IUPAC name is 3,5-difluoro-N-[(E)-pent-3-enyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[(E)-pent-3-enyl]benzenesulfonamide
PubChem CID115628668
Molecular FormulaC11H13F2NO2S
Molecular Weight261.29 g/mol
Exact Mass261.06
IUPAC Name3,5-difluoro-N-[(E)-pent-3-enyl]benzenesulfonamide
SMILESC/C=C/CCNS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO2S/c1-2-3-4-5-14-17(15,16)11-7-9(12)6-10(13)8-11/h2-3,6-8,14H,4-5H2,1H3/b3-2+
InChIKeyXLGWAJNUWPGTOT-NSCUHMNNSA-N
XLogP2.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

5-fluoro-2-methyl-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 115628679
2-fluoro-5-methylsulfonyl-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 113465537
4-fluoro-3-nitro-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 113465539
4-amino-3-bromo-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 113465284
4-chloro-N-[(E)-pent-3-enyl]-3-(trifluoromethyl)benzenesulfonamide
CID 115628739
3,5-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912060
3,5-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606868
N-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide
CID 115628736
methyl 6-[(3,5-difluorophenyl)sulfonylamino]hexanoate
CID 43409144
7-[(3,5-difluorophenyl)sulfonylamino]heptanoic acid
CID 43241563
3-chloro-4-cyano-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 115628680
3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide
CID 113236594

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(E)-pent-3-enyl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[(E)-pent-3-enyl]benzenesulfonamide (CID 115628668) is 3,5-difluoro-N-[(E)-pent-3-enyl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[(E)-pent-3-enyl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[(E)-pent-3-enyl]benzenesulfonamide is C/C=C/CCNS(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[(E)-pent-3-enyl]benzenesulfonamide?
The InChIKey is XLGWAJNUWPGTOT-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H13F2NO2S/c1-2-3-4-5-14-17(15,16)11-7-9(12)6-10(13)8-11/h2-3,6-8,14H,4-5H2,1H3/b3-2+.
What are the key properties of 3,5-difluoro-N-[(E)-pent-3-enyl]benzenesulfonamide?
3,5-difluoro-N-[(E)-pent-3-enyl]benzenesulfonamide has a molecular weight of 261.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(E)-pent-3-enyl]benzenesulfonamide is sourced from PubChem (CID 115628668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).