N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide

C30H26F3N5O3S — CID 162659738

IUPACN-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H26F3N5O3S/c31-30(32,33)23-10-12-25(13-11-23)42(40,41)36-16-5-15-34-26-19-22(14-17-35-26)28-27(21-8-4-9-24(39)18-21)37-29(38-28)20-6-2-1-3-7-20/h1-4,6-14,17-19,36,39H,5,15-16H2,(H,34,35)(H,37,38)
InChIKeyMPUCFFOWEMNEON-UHFFFAOYSA-N
MW593.63 g/mol
LogP6.31
Rot. Bonds10

About N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide

N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 162659738) has the molecular formula C30H26F3N5O3S and a molecular weight of 593.63 g/mol. Its IUPAC name is N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID162659738
Molecular FormulaC30H26F3N5O3S
Molecular Weight593.63 g/mol
Exact Mass593.17
IUPAC NameN-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H26F3N5O3S/c31-30(32,33)23-10-12-25(13-11-23)42(40,41)36-16-5-15-34-26-19-22(14-17-35-26)28-27(21-8-4-9-24(39)18-21)37-29(38-28)20-6-2-1-3-7-20/h1-4,6-14,17-19,36,39H,5,15-16H2,(H,34,35)(H,37,38)
InChIKeyMPUCFFOWEMNEON-UHFFFAOYSA-N
XLogP6.31
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.63
LogP ≤ 56.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]-4-(trifluoromethyl)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

3-fluoro-N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide
CID 162646281
4-chloro-N-[3-[[4-[4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]benzenesulfonamide
CID 162668555
N-[3-[[4-[4-(4-chloro-3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 162674700
N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 155810179
4-chloro-N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide
CID 167529818
4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide
CID 24825345
4-bromo-N-[3-[[4-(1,3-diphenylpyrazol-4-yl)-2-pyridinyl]amino]propyl]benzenesulfonamide
CID 155806992
N-[2-[[4-[1-ethyl-3-(3-hydroxyphenyl)pyrazol-4-yl]-2-pyridinyl]amino]ethyl]naphthalene-1-sulfonamide
CID 162395713
N-[3-[[4-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide
CID 165368150
N-[3-[[4-[1-tert-butyl-3-(4-chloro-3-hydroxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide
CID 169448234
4-(4-fluorophenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 102333222
N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 176561332

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide (CID 162659738) is N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MPUCFFOWEMNEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3N5O3S/c31-30(32,33)23-10-12-25(13-11-23)42(40,41)36-16-5-15-34-26-19-22(14-17-35-26)28-27(21-8-4-9-24(39)18-21)37-29(38-28)20-6-2-1-3-7-20/h1-4,6-14,17-19,36,39H,5,15-16H2,(H,34,35)(H,37,38).
What are the key properties of N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 593.63 g/mol, XLogP of 6.31, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 162659738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).