[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone;(2-butylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-cyclohexylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(5-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(7-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone

C127H133F5N18O19S11 — CID 157060175

IUPAC[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone;(2-butylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-cyclohexylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(5-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(7-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone
SMILESCC(C)S(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1.CCCCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1.CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3cc(F)ccc3s2)CC1.CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3cccc(F)c3s2)CC1.CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccccc3o2)CC1.O=C(c1ccccc1S(=O)(=O)C1CCCCC1)N1CCN(c2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C24H26FN3O3S2.C22H24FN3O3S2.C21H22FN3O3S2.2C20H20FN3O3S2.C20H21N3O4S/c25-17-10-11-20-21(16-17)32-24(26-20)28-14-12-27(13-15-28)23(29)19-8-4-5-9-22(19)33(30,31)18-6-2-1-3-7-18;1-2-3-14-31(28,29)20-7-5-4-6-17(20)21(27)25-10-12-26(13-11-25)22-24-18-9-8-16(23)15-19(18)30-22;1-14(2)30(27,28)19-6-4-3-5-16(19)20(26)24-9-11-25(12-10-24)21-23-17-8-7-15(22)13-18(17)29-21;1-2-29(26,27)17-9-4-3-6-14(17)19(25)23-10-12-24(13-11-23)20-22-16-8-5-7-15(21)18(16)28-20;1-2-29(26,27)18-6-4-3-5-15(18)19(25)23-9-11-24(12-10-23)20-22-16-13-14(21)7-8-17(16)28-20;1-2-28(25,26)18-10-6-3-7-15(18)19(24)22-11-13-23(14-12-22)20-21-16-8-4-5-9-17(16)27-20/h4-5,8-11,16,18H,1-3,6-7,12-15H2;4-9,15H,2-3,10-14H2,1H3;3-8,13-14H,9-12H2,1-2H3;3-9H,2,10-13H2,1H3;3-8,13H,2,9-12H2,1H3;3-10H,2,11-14H2,1H3
InChIKeyABFWUSAOKRPDSX-UHFFFAOYSA-N
MW2663.29 g/mol
LogP21.02
Rot. Bonds26

About [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone;(2-butylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-cyclohexylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(5-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(7-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone

[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone;(2-butylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-cyclohexylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(5-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(7-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone (PubChem CID 157060175) has the molecular formula C127H133F5N18O19S11 and a molecular weight of 2663.29 g/mol. Its IUPAC name is [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone;(2-butylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-cyclohexylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(5-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(7-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone;(2-butylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-cyclohexylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(5-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(7-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone
PubChem CID157060175
Molecular FormulaC127H133F5N18O19S11
Molecular Weight2663.29 g/mol
Exact Mass2660.68
IUPAC Name[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone;(2-butylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-cyclohexylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(5-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(7-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone
SMILESCC(C)S(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1.CCCCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1.CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3cc(F)ccc3s2)CC1.CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3cccc(F)c3s2)CC1.CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccccc3o2)CC1.O=C(c1ccccc1S(=O)(=O)C1CCCCC1)N1CCN(c2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C24H26FN3O3S2.C22H24FN3O3S2.C21H22FN3O3S2.2C20H20FN3O3S2.C20H21N3O4S/c25-17-10-11-20-21(16-17)32-24(26-20)28-14-12-27(13-15-28)23(29)19-8-4-5-9-22(19)33(30,31)18-6-2-1-3-7-18;1-2-3-14-31(28,29)20-7-5-4-6-17(20)21(27)25-10-12-26(13-11-25)22-24-18-9-8-16(23)15-19(18)30-22;1-14(2)30(27,28)19-6-4-3-5-16(19)20(26)24-9-11-25(12-10-24)21-23-17-8-7-15(22)13-18(17)29-21;1-2-29(26,27)17-9-4-3-6-14(17)19(25)23-10-12-24(13-11-23)20-22-16-8-5-7-15(21)18(16)28-20;1-2-29(26,27)18-6-4-3-5-15(18)19(25)23-9-11-24(12-10-23)20-22-16-13-14(21)7-8-17(16)28-20;1-2-28(25,26)18-10-6-3-7-15(18)19(24)22-11-13-23(14-12-22)20-21-16-8-4-5-9-17(16)27-20/h4-5,8-11,16,18H,1-3,6-7,12-15H2;4-9,15H,2-3,10-14H2,1H3;3-8,13-14H,9-12H2,1-2H3;3-9H,2,10-13H2,1H3;3-8,13H,2,9-12H2,1H3;3-10H,2,11-14H2,1H3
InChIKeyABFWUSAOKRPDSX-UHFFFAOYSA-N
XLogP21.02
TPSA436.62 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds26
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002663.29
LogP ≤ 521.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone;(2-butylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-cyclohexylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(5-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(7-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone;(2-butylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-cyclohexylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(5-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(7-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone?
The IUPAC name of [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone;(2-butylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-cyclohexylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(5-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(7-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone (CID 157060175) is [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone;(2-butylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-cyclohexylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(5-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(7-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone;(2-butylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-cyclohexylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(5-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(7-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone?
The canonical SMILES for [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone;(2-butylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-cyclohexylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(5-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(7-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone is CC(C)S(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1.CCCCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1.CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3cc(F)ccc3s2)CC1.CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3cccc(F)c3s2)CC1.CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3ccccc3o2)CC1.O=C(c1ccccc1S(=O)(=O)C1CCCCC1)N1CCN(c2nc3ccc(F)cc3s2)CC1.
What is the InChIKey of [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone;(2-butylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-cyclohexylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(5-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(7-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone?
The InChIKey is ABFWUSAOKRPDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3S2.C22H24FN3O3S2.C21H22FN3O3S2.2C20H20FN3O3S2.C20H21N3O4S/c25-17-10-11-20-21(16-17)32-24(26-20)28-14-12-27(13-15-28)23(29)19-8-4-5-9-22(19)33(30,31)18-6-2-1-3-7-18;1-2-3-14-31(28,29)20-7-5-4-6-17(20)21(27)25-10-12-26(13-11-25)22-24-18-9-8-16(23)15-19(18)30-22;1-14(2)30(27,28)19-6-4-3-5-16(19)20(26)24-9-11-25(12-10-24)21-23-17-8-7-15(22)13-18(17)29-21;1-2-29(26,27)17-9-4-3-6-14(17)19(25)23-10-12-24(13-11-23)20-22-16-8-5-7-15(21)18(16)28-20;1-2-29(26,27)18-6-4-3-5-15(18)19(25)23-9-11-24(12-10-23)20-22-16-13-14(21)7-8-17(16)28-20;1-2-28(25,26)18-10-6-3-7-15(18)19(24)22-11-13-23(14-12-22)20-21-16-8-4-5-9-17(16)27-20/h4-5,8-11,16,18H,1-3,6-7,12-15H2;4-9,15H,2-3,10-14H2,1H3;3-8,13-14H,9-12H2,1-2H3;3-9H,2,10-13H2,1H3;3-8,13H,2,9-12H2,1H3;3-10H,2,11-14H2,1H3.
What are the key properties of [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone;(2-butylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-cyclohexylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(5-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(7-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone?
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone;(2-butylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-cyclohexylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(5-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(7-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone has a molecular weight of 2663.29 g/mol, XLogP of 21.02, 26 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone;(2-butylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-cyclohexylsulfonylphenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(5-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;(2-ethylsulfonylphenyl)-[4-(7-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone is sourced from PubChem (CID 157060175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).