N-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide

C28H30FN3O2S — CID 24825346

IUPACN-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C28H30FN3O2S/c1-2-3-5-8-21-11-17-25(18-12-21)35(33,34)30-20-19-26-27(22-13-15-24(29)16-14-22)32-28(31-26)23-9-6-4-7-10-23/h4,6-7,9-18,30H,2-3,5,8,19-20H2,1H3,(H,31,32)
InChIKeyFAZSWVVIXMDBTB-UHFFFAOYSA-N
MW491.63 g/mol
LogP6.14
Rot. Bonds11

About N-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide

N-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide (PubChem CID 24825346) has the molecular formula C28H30FN3O2S and a molecular weight of 491.63 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
PubChem CID24825346
Molecular FormulaC28H30FN3O2S
Molecular Weight491.63 g/mol
Exact Mass491.20
IUPAC NameN-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C28H30FN3O2S/c1-2-3-5-8-21-11-17-25(18-12-21)35(33,34)30-20-19-26-27(22-13-15-24(29)16-14-22)32-28(31-26)23-9-6-4-7-10-23/h4,6-7,9-18,30H,2-3,5,8,19-20H2,1H3,(H,31,32)
InChIKeyFAZSWVVIXMDBTB-UHFFFAOYSA-N
XLogP6.14
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.63
LogP ≤ 56.14
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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Related Compounds

4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide
CID 24825345
N-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
CID 24825348
N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide
CID 59641976
N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 24825363
N-[3-(2,4-diphenyl-1H-imidazol-5-yl)propyl]-4-(1-hydroxypropyl)benzenesulfonamide
CID 59641831
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
N-[(1S,2S)-2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]cyclopropyl]-4-pentylbenzenesulfonamide
CID 59641920
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
5-(2-fluoroethyl)-2-(4-fluorophenyl)-4-phenyl-1H-imidazole
CID 13470703
N-butyl-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 122174787
3-[2-[(4-pentylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylic acid
CID 11625805
4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 11525283

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide (CID 24825346) is N-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccccc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The InChIKey is FAZSWVVIXMDBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O2S/c1-2-3-5-8-21-11-17-25(18-12-21)35(33,34)30-20-19-26-27(22-13-15-24(29)16-14-22)32-28(31-26)23-9-6-4-7-10-23/h4,6-7,9-18,30H,2-3,5,8,19-20H2,1H3,(H,31,32).
What are the key properties of N-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
N-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide has a molecular weight of 491.63 g/mol, XLogP of 6.14, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide is sourced from PubChem (CID 24825346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).