N-[3-[(E)-5-phenoxypent-1-enyl]-4-(trifluoromethyl)phenyl]benzenesulfonamide

C24H22F3NO3S — CID 175149396

IUPACN-[3-[(E)-5-phenoxypent-1-enyl]-4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)c(/C=C/CCCOc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C24H22F3NO3S/c25-24(26,27)23-16-15-20(28-32(29,30)22-13-7-2-8-14-22)18-19(23)10-4-3-9-17-31-21-11-5-1-6-12-21/h1-2,4-8,10-16,18,28H,3,9,17H2/b10-4+
InChIKeyJJOCKBLQCBASEO-ONNFQVAWSA-N
MW461.51 g/mol
LogP6.38
Rot. Bonds9

About N-[3-[(E)-5-phenoxypent-1-enyl]-4-(trifluoromethyl)phenyl]benzenesulfonamide

N-[3-[(E)-5-phenoxypent-1-enyl]-4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 175149396) has the molecular formula C24H22F3NO3S and a molecular weight of 461.51 g/mol. Its IUPAC name is N-[3-[(E)-5-phenoxypent-1-enyl]-4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(E)-5-phenoxypent-1-enyl]-4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID175149396
Molecular FormulaC24H22F3NO3S
Molecular Weight461.51 g/mol
Exact Mass461.13
IUPAC NameN-[3-[(E)-5-phenoxypent-1-enyl]-4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)c(/C=C/CCCOc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C24H22F3NO3S/c25-24(26,27)23-16-15-20(28-32(29,30)22-13-7-2-8-14-22)18-19(23)10-4-3-9-17-31-21-11-5-1-6-12-21/h1-2,4-8,10-16,18,28H,3,9,17H2/b10-4+
InChIKeyJJOCKBLQCBASEO-ONNFQVAWSA-N
XLogP6.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.51
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[(E)-5-phenoxypent-1-enyl]-4-(trifluoromethyl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide
CID 175149395
4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 28560515
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 22203437
5-phenoxypent-1-enylbenzene
CID 173201484
N-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]phenyl]benzenesulfonamide
CID 175149398
4-fluoro-N-(2-phenoxyethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 30365653
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 166627714
N-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide
CID 175146708
4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3478087
4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000732

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-5-phenoxypent-1-enyl]-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[(E)-5-phenoxypent-1-enyl]-4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 175149396) is N-[3-[(E)-5-phenoxypent-1-enyl]-4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(E)-5-phenoxypent-1-enyl]-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[(E)-5-phenoxypent-1-enyl]-4-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)c(/C=C/CCCOc2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-[3-[(E)-5-phenoxypent-1-enyl]-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is JJOCKBLQCBASEO-ONNFQVAWSA-N. The full InChI is InChI=1S/C24H22F3NO3S/c25-24(26,27)23-16-15-20(28-32(29,30)22-13-7-2-8-14-22)18-19(23)10-4-3-9-17-31-21-11-5-1-6-12-21/h1-2,4-8,10-16,18,28H,3,9,17H2/b10-4+.
What are the key properties of N-[3-[(E)-5-phenoxypent-1-enyl]-4-(trifluoromethyl)phenyl]benzenesulfonamide?
N-[3-[(E)-5-phenoxypent-1-enyl]-4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 461.51 g/mol, XLogP of 6.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-5-phenoxypent-1-enyl]-4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 175149396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).