4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole

C24H19ClF3N3O6S2 — CID 172898306

IUPAC4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H19ClF3N3O6S2/c25-17-6-8-18(9-7-17)38(32,33)22-23(37-21(29-22)20-5-2-14-36-20)30-10-12-31(13-11-30)39(34,35)19-4-1-3-16(15-19)24(26,27)28/h1-9,14-15H,10-13H2
InChIKeyFXXDDFXHVHAMQR-UHFFFAOYSA-N
MW602.01 g/mol
LogP4.95
Rot. Bonds6

About 4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole

4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole (PubChem CID 172898306) has the molecular formula C24H19ClF3N3O6S2 and a molecular weight of 602.01 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole
PubChem CID172898306
Molecular FormulaC24H19ClF3N3O6S2
Molecular Weight602.01 g/mol
Exact Mass601.04
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H19ClF3N3O6S2/c25-17-6-8-18(9-7-17)38(32,33)22-23(37-21(29-22)20-5-2-14-36-20)30-10-12-31(13-11-30)39(34,35)19-4-1-3-16(15-19)24(26,27)28/h1-9,14-15H,10-13H2
InChIKeyFXXDDFXHVHAMQR-UHFFFAOYSA-N
XLogP4.95
TPSA113.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.01
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)-1,3-oxazole
CID 18826461
5-(azepan-1-yl)-4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazole
CID 18826464
4-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 56696039
4-(4-chlorophenyl)sulfonyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole
CID 172898275
2-(furan-2-yl)-6-methyl-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]quinazoline
CID 83277036
4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole
CID 18826495
5-(azepan-1-yl)-2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazole
CID 2139826
2-methyl-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 100829542
1-[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 18826419
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906
4-[4-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine
CID 1206113
5-(4-benzylpiperazin-1-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(furan-2-yl)-1,3-oxazole
CID 16650456

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole (CID 172898306) is 4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole is O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole?
The InChIKey is FXXDDFXHVHAMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N3O6S2/c25-17-6-8-18(9-7-17)38(32,33)22-23(37-21(29-22)20-5-2-14-36-20)30-10-12-31(13-11-30)39(34,35)19-4-1-3-16(15-19)24(26,27)28/h1-9,14-15H,10-13H2.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole?
4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole has a molecular weight of 602.01 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole is sourced from PubChem (CID 172898306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).