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

C18H20N2O5S — CID 135075303

IUPACN-[(E)-5-(4-methoxyphenyl)pent-4-enyl]-4-nitrobenzenesulfonamide
SMILESCOc1ccc(/C=C/CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-25-17-10-6-15(7-11-17)5-3-2-4-14-19-26(23,24)18-12-8-16(9-13-18)20(21)22/h3,5-13,19H,2,4,14H2,1H3/b5-3+
InChIKeyKYWFOCLWYHIGIR-HWKANZROSA-N
MW376.43 g/mol
LogP3.38
Rot. Bonds9

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

N-[(E)-5-(4-methoxyphenyl)pent-4-enyl]-4-nitrobenzenesulfonamide (PubChem CID 135075303) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[(E)-5-(4-methoxyphenyl)pent-4-enyl]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-5-(4-methoxyphenyl)pent-4-enyl]-4-nitrobenzenesulfonamide
PubChem CID135075303
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-[(E)-5-(4-methoxyphenyl)pent-4-enyl]-4-nitrobenzenesulfonamide
SMILESCOc1ccc(/C=C/CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-25-17-10-6-15(7-11-17)5-3-2-4-14-19-26(23,24)18-12-8-16(9-13-18)20(21)22/h3,5-13,19H,2,4,14H2,1H3/b5-3+
InChIKeyKYWFOCLWYHIGIR-HWKANZROSA-N
XLogP3.38
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-fluorophenyl)pent-4-enyl]-4-nitrobenzenesulfonamide
CID 135074818
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-nitro-N-[7-[(4-nitrophenyl)sulfonylamino]heptyl]benzenesulfonamide
CID 4258542
4-methoxy-N-pent-4-ynylbenzenesulfonamide
CID 103698076
methyl 4-[(4-nitrophenyl)sulfonylamino]butanoate
CID 2054576
[4-(butylsulfamoyl)phenyl] 4-nitrobenzoate
CID 139645110
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-4-nitrobenzenesulfonamide
CID 90498311
4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide
CID 15895607
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4-nitrobenzenesulfonamide
CID 42267548
N-[3-(2-methylpropoxy)propyl]-4-nitrobenzenesulfonamide
CID 26544689
(E)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17186907
N-[(E,1S)-1-(4-methoxyphenyl)hex-2-enyl]-4-nitrobenzenesulfonamide
CID 102225933

Frequently Asked Questions

What is the IUPAC name of N-[(E)-5-(4-methoxyphenyl)pent-4-enyl]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[(E)-5-(4-methoxyphenyl)pent-4-enyl]-4-nitrobenzenesulfonamide (CID 135075303) is N-[(E)-5-(4-methoxyphenyl)pent-4-enyl]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(E)-5-(4-methoxyphenyl)pent-4-enyl]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[(E)-5-(4-methoxyphenyl)pent-4-enyl]-4-nitrobenzenesulfonamide is COc1ccc(/C=C/CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[(E)-5-(4-methoxyphenyl)pent-4-enyl]-4-nitrobenzenesulfonamide?
The InChIKey is KYWFOCLWYHIGIR-HWKANZROSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-25-17-10-6-15(7-11-17)5-3-2-4-14-19-26(23,24)18-12-8-16(9-13-18)20(21)22/h3,5-13,19H,2,4,14H2,1H3/b5-3+.
What are the key properties of N-[(E)-5-(4-methoxyphenyl)pent-4-enyl]-4-nitrobenzenesulfonamide?
N-[(E)-5-(4-methoxyphenyl)pent-4-enyl]-4-nitrobenzenesulfonamide has a molecular weight of 376.43 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-(4-methoxyphenyl)pent-4-enyl]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 135075303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).