4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide

C29H30F3N3O2S — CID 24825345

IUPAC4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccccc3)nc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C29H30F3N3O2S/c1-2-3-5-8-21-11-17-25(18-12-21)38(36,37)33-20-19-26-27(22-13-15-24(16-14-22)29(30,31)32)35-28(34-26)23-9-6-4-7-10-23/h4,6-7,9-18,33H,2-3,5,8,19-20H2,1H3,(H,34,35)
InChIKeyXNAWCAPRTKCJAX-UHFFFAOYSA-N
MW541.64 g/mol
LogP7.02
Rot. Bonds11

About 4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide

4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide (PubChem CID 24825345) has the molecular formula C29H30F3N3O2S and a molecular weight of 541.64 g/mol. Its IUPAC name is 4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide
PubChem CID24825345
Molecular FormulaC29H30F3N3O2S
Molecular Weight541.64 g/mol
Exact Mass541.20
IUPAC Name4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccccc3)nc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C29H30F3N3O2S/c1-2-3-5-8-21-11-17-25(18-12-21)38(36,37)33-20-19-26-27(22-13-15-24(16-14-22)29(30,31)32)35-28(34-26)23-9-6-4-7-10-23/h4,6-7,9-18,33H,2-3,5,8,19-20H2,1H3,(H,34,35)
InChIKeyXNAWCAPRTKCJAX-UHFFFAOYSA-N
XLogP7.02
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.64
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide (CID 24825345) is 4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccccc3)nc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide?
The InChIKey is XNAWCAPRTKCJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N3O2S/c1-2-3-5-8-21-11-17-25(18-12-21)38(36,37)33-20-19-26-27(22-13-15-24(16-14-22)29(30,31)32)35-28(34-26)23-9-6-4-7-10-23/h4,6-7,9-18,33H,2-3,5,8,19-20H2,1H3,(H,34,35).
What are the key properties of 4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide?
4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide has a molecular weight of 541.64 g/mol, XLogP of 7.02, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 24825345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).