[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methanamine;N-[[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methyl]pyridine-3-sulfonamide;pyridine-3-sulfonyl chloride

C46H43ClF2N8O4S2 — CID 159962057

IUPAC[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methanamine;N-[[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methyl]pyridine-3-sulfonamide;pyridine-3-sulfonyl chloride
SMILESNCc1ccccc1-c1cncn1CCc1ccc(F)cc1.O=S(=O)(Cl)c1cccnc1.O=S(=O)(NCc1ccccc1-c1cncn1CCc1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C23H21FN4O2S.C18H18FN3.C5H4ClNO2S/c24-20-9-7-18(8-10-20)11-13-28-17-26-16-23(28)22-6-2-1-4-19(22)14-27-31(29,30)21-5-3-12-25-15-21;19-16-7-5-14(6-8-16)9-10-22-13-21-12-18(22)17-4-2-1-3-15(17)11-20;6-10(8,9)5-2-1-3-7-4-5/h1-10,12,15-17,27H,11,13-14H2;1-8,12-13H,9-11,20H2;1-4H
InChIKeyODLOYYGCPHPVJO-UHFFFAOYSA-N
MW909.49 g/mol
LogP8.21
Rot. Bonds14

About [2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methanamine;N-[[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methyl]pyridine-3-sulfonamide;pyridine-3-sulfonyl chloride

[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methanamine;N-[[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methyl]pyridine-3-sulfonamide;pyridine-3-sulfonyl chloride (PubChem CID 159962057) has the molecular formula C46H43ClF2N8O4S2 and a molecular weight of 909.49 g/mol. Its IUPAC name is [2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methanamine;N-[[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methyl]pyridine-3-sulfonamide;pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methanamine;N-[[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methyl]pyridine-3-sulfonamide;pyridine-3-sulfonyl chloride
PubChem CID159962057
Molecular FormulaC46H43ClF2N8O4S2
Molecular Weight909.49 g/mol
Exact Mass908.25
IUPAC Name[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methanamine;N-[[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methyl]pyridine-3-sulfonamide;pyridine-3-sulfonyl chloride
SMILESNCc1ccccc1-c1cncn1CCc1ccc(F)cc1.O=S(=O)(Cl)c1cccnc1.O=S(=O)(NCc1ccccc1-c1cncn1CCc1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C23H21FN4O2S.C18H18FN3.C5H4ClNO2S/c24-20-9-7-18(8-10-20)11-13-28-17-26-16-23(28)22-6-2-1-4-19(22)14-27-31(29,30)21-5-3-12-25-15-21;19-16-7-5-14(6-8-16)9-10-22-13-21-12-18(22)17-4-2-1-3-15(17)11-20;6-10(8,9)5-2-1-3-7-4-5/h1-10,12,15-17,27H,11,13-14H2;1-8,12-13H,9-11,20H2;1-4H
InChIKeyODLOYYGCPHPVJO-UHFFFAOYSA-N
XLogP8.21
TPSA167.75 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500909.49
LogP ≤ 58.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze [2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methanamine;N-[[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methyl]pyridine-3-sulfonamide;pyridine-3-sulfonyl chloride with MolForge

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Related Compounds

US9656955, Example 571
CID 90404352
4-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 172674906
N-(2,4-difluorophenyl)-5-[8-(3-methylimidazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide
CID 25123255
(3,5-dimethyl-pyridin-2-ylmethyl)-{3-[1-(4-fluoro-phenyl)-1-methyl-ethyl]-pyridin-2-ylmethyl}-{2-[1-{toluene-4-sulfonyl)-1H-imidazol-4-yl]-ethyl}-amine
CID 67272433
2-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylbenzenesulfonamide
CID 70003030
N-[3-(2-fluoro-1-tritylimidazol-4-yl)propyl]pyridine-3-sulfonamide
CID 70527340
1-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]-4-[(5-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine
CID 72721241
2-[2-(4-Methyl-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide;2-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 87949208
N-[2-(2-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide;2-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 88199813
2-[2-(2-Methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide;2-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 88238742
3-[4-Methyl-1-(4-methylsulfonylphenyl)imidazol-2-yl]pyridine;4-methyl-3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[2-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 88342735
5-[2-[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]pyrrolidin-1-yl]sulfonyl-N,N-dimethylpyridin-2-amine
CID 91758801

Frequently Asked Questions

What is the IUPAC name of [2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methanamine;N-[[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methyl]pyridine-3-sulfonamide;pyridine-3-sulfonyl chloride?
The IUPAC name of [2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methanamine;N-[[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methyl]pyridine-3-sulfonamide;pyridine-3-sulfonyl chloride (CID 159962057) is [2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methanamine;N-[[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methyl]pyridine-3-sulfonamide;pyridine-3-sulfonyl chloride.
What is the SMILES notation for [2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methanamine;N-[[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methyl]pyridine-3-sulfonamide;pyridine-3-sulfonyl chloride?
The canonical SMILES for [2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methanamine;N-[[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methyl]pyridine-3-sulfonamide;pyridine-3-sulfonyl chloride is NCc1ccccc1-c1cncn1CCc1ccc(F)cc1.O=S(=O)(Cl)c1cccnc1.O=S(=O)(NCc1ccccc1-c1cncn1CCc1ccc(F)cc1)c1cccnc1.
What is the InChIKey of [2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methanamine;N-[[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methyl]pyridine-3-sulfonamide;pyridine-3-sulfonyl chloride?
The InChIKey is ODLOYYGCPHPVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2S.C18H18FN3.C5H4ClNO2S/c24-20-9-7-18(8-10-20)11-13-28-17-26-16-23(28)22-6-2-1-4-19(22)14-27-31(29,30)21-5-3-12-25-15-21;19-16-7-5-14(6-8-16)9-10-22-13-21-12-18(22)17-4-2-1-3-15(17)11-20;6-10(8,9)5-2-1-3-7-4-5/h1-10,12,15-17,27H,11,13-14H2;1-8,12-13H,9-11,20H2;1-4H.
What are the key properties of [2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methanamine;N-[[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methyl]pyridine-3-sulfonamide;pyridine-3-sulfonyl chloride?
[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methanamine;N-[[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methyl]pyridine-3-sulfonamide;pyridine-3-sulfonyl chloride has a molecular weight of 909.49 g/mol, XLogP of 8.21, 14 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methanamine;N-[[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methyl]pyridine-3-sulfonamide;pyridine-3-sulfonyl chloride is sourced from PubChem (CID 159962057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).