N-[(E)-5-(4-fluorophenyl)pent-4-enyl]-4-nitrobenzenesulfonamide

C17H17FN2O4S — CID 135074818

IUPACN-[(E)-5-(4-fluorophenyl)pent-4-enyl]-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NCCC/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O4S/c18-15-7-5-14(6-8-15)4-2-1-3-13-19-25(23,24)17-11-9-16(10-12-17)20(21)22/h2,4-12,19H,1,3,13H2/b4-2+
InChIKeyNUGAZQXVBXOLTH-DUXPYHPUSA-N
MW364.40 g/mol
LogP3.51
Rot. Bonds8

About N-[(E)-5-(4-fluorophenyl)pent-4-enyl]-4-nitrobenzenesulfonamide

N-[(E)-5-(4-fluorophenyl)pent-4-enyl]-4-nitrobenzenesulfonamide (PubChem CID 135074818) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[(E)-5-(4-fluorophenyl)pent-4-enyl]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-5-(4-fluorophenyl)pent-4-enyl]-4-nitrobenzenesulfonamide
PubChem CID135074818
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC NameN-[(E)-5-(4-fluorophenyl)pent-4-enyl]-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NCCC/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O4S/c18-15-7-5-14(6-8-15)4-2-1-3-13-19-25(23,24)17-11-9-16(10-12-17)20(21)22/h2,4-12,19H,1,3,13H2/b4-2+
InChIKeyNUGAZQXVBXOLTH-DUXPYHPUSA-N
XLogP3.51
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-5-(4-methoxyphenyl)pent-4-enyl]-4-nitrobenzenesulfonamide
CID 135075303
4-nitro-N-[7-[(4-nitrophenyl)sulfonylamino]heptyl]benzenesulfonamide
CID 4258542
N-(3-cyanopropyl)-4-fluorobenzenesulfonamide
CID 62668481
1-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene
CID 9036054
2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 60583708
N-[3-(cyclopropylamino)propyl]-4-nitrobenzenesulfonamide
CID 43598615
N-[3-(2-methylpropoxy)propyl]-4-nitrobenzenesulfonamide
CID 26544689
1-[(E)-3-bromoprop-1-enyl]-4-nitrobenzene
CID 10444388
N-butyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 4294887
methyl 4-[(4-nitrophenyl)sulfonylamino]butanoate
CID 2054576
4-nitro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994818
N-[4-(4-nitrophenyl)but-3-enyl]acetamide
CID 170488748

Frequently Asked Questions

What is the IUPAC name of N-[(E)-5-(4-fluorophenyl)pent-4-enyl]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[(E)-5-(4-fluorophenyl)pent-4-enyl]-4-nitrobenzenesulfonamide (CID 135074818) is N-[(E)-5-(4-fluorophenyl)pent-4-enyl]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(E)-5-(4-fluorophenyl)pent-4-enyl]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[(E)-5-(4-fluorophenyl)pent-4-enyl]-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)NCCC/C=C/c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(E)-5-(4-fluorophenyl)pent-4-enyl]-4-nitrobenzenesulfonamide?
The InChIKey is NUGAZQXVBXOLTH-DUXPYHPUSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c18-15-7-5-14(6-8-15)4-2-1-3-13-19-25(23,24)17-11-9-16(10-12-17)20(21)22/h2,4-12,19H,1,3,13H2/b4-2+.
What are the key properties of N-[(E)-5-(4-fluorophenyl)pent-4-enyl]-4-nitrobenzenesulfonamide?
N-[(E)-5-(4-fluorophenyl)pent-4-enyl]-4-nitrobenzenesulfonamide has a molecular weight of 364.40 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-(4-fluorophenyl)pent-4-enyl]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 135074818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).