(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-[(3,5-dichlorophenyl)methylsulfonyl]-N-hydroxypiperazine-2-carboxamide;2-[(3R)-4-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-3-(hydroxycarbamoyl)piperazin-1-yl]acetic acid;(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-prop-2-enylpiperazine-2-carboxamide;2-methoxyethyl (3R)-4-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-3-(hydroxycarbamoyl)piperazine-1-carboxylate;2-methoxyethyl (3R)-3-(hydroxycarbamoyl)-4-[[6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]sulfonyl]piperazine-1-carboxylate

C107H111Cl5F7N17O35S6 — CID 161096997

About (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-[(3,5-dichlorophenyl)methylsulfonyl]-N-hydroxypiperazine-2-carboxamide;2-[(3R)-4-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-3-(hydroxycarbamoyl)piperazin-1-yl]acetic acid;(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-prop-2-enylpiperazine-2-carboxamide;2-methoxyethyl (3R)-4-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-3-(hydroxycarbamoyl)piperazine-1-carboxylate;2-methoxyethyl (3R)-3-(hydroxycarbamoyl)-4-[[6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]sulfonyl]piperazine-1-carboxylate

(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-[(3,5-dichlorophenyl)methylsulfonyl]-N-hydroxypiperazine-2-carboxamide;2-[(3R)-4-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-3-(hydroxycarbamoyl)piperazin-1-yl]acetic acid;(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-prop-2-enylpiperazine-2-carboxamide;2-methoxyethyl (3R)-4-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-3-(hydroxycarbamoyl)piperazine-1-carboxylate;2-methoxyethyl (3R)-3-(hydroxycarbamoyl)-4-[[6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]sulfonyl]piperazine-1-carboxylate (PubChem CID 161096997) has the molecular formula C107H111Cl5F7N17O35S6 and a molecular weight of 2697.80 g/mol. Its IUPAC name is (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-[(3,5-dichlorophenyl)methylsulfonyl]-N-hydroxypiperazine-2-carboxamide;2-[(3R)-4-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-3-(hydroxycarbamoyl)piperazin-1-yl]acetic acid;(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-prop-2-enylpiperazine-2-carboxamide;2-methoxyethyl (3R)-4-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-3-(hydroxycarbamoyl)piperazine-1-carboxylate;2-methoxyethyl (3R)-3-(hydroxycarbamoyl)-4-[[6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]sulfonyl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-[(3,5-dichlorophenyl)methylsulfonyl]-N-hydroxypiperazine-2-carboxamide;2-[(3R)-4-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-3-(hydroxycarbamoyl)piperazin-1-yl]acetic acid;(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-prop-2-enylpiperazine-2-carboxamide;2-methoxyethyl (3R)-4-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-3-(hydroxycarbamoyl)piperazine-1-carboxylate;2-methoxyethyl (3R)-3-(hydroxycarbamoyl)-4-[[6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]sulfonyl]piperazine-1-carboxylate
• PubChem CID: 161096997
• Molecular Formula: C107H111Cl5F7N17O35S6
• Molecular Weight: 2697.80 g/mol
• Exact Mass: 2693.41
• IUPAC Name: (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-[(3,5-dichlorophenyl)methylsulfonyl]-N-hydroxypiperazine-2-carboxamide;2-[(3R)-4-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-3-(hydroxycarbamoyl)piperazin-1-yl]acetic acid;(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-prop-2-enylpiperazine-2-carboxamide;2-methoxyethyl (3R)-4-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-3-(hydroxycarbamoyl)piperazine-1-carboxylate;2-methoxyethyl (3R)-3-(hydroxycarbamoyl)-4-[[6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]sulfonyl]piperazine-1-carboxylate
• SMILES: C=CCN1CCN(S(=O)(=O)c2cc(F)c(Oc3ccc(Cl)cc3)c(F)c2)[C@@H](C(=O)NO)C1.COCCOC(=O)N1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)nc2)[C@@H](C(=O)NO)C1.COCCOC(=O)N1CCN(S(=O)(=O)c2ccc(Oc3ccc4c(c3)CCCC4)nc2)[C@@H](C(=O)NO)C1.O=C(NO)[C@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCN1S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1.O=C(O)CN1CCN(S(=O)(=O)c2cc(F)c(Oc3ccc(Cl)cc3)c(F)c2)[C@@H](C(=O)NO)C1
• InChI: InChI=1S/C24H20Cl3F2N3O7S2.C24H30N4O8S.C20H20ClF2N3O5S.C20H23FN4O8S.C19H18ClF2N3O7S/c25-15-1-3-18(4-2-15)39-23-20(28)10-19(11-21(23)29)41(37,38)32-6-5-31(12-22(32)24(33)30-34)40(35,36)13-14-7-16(26)9-17(27)8-14;1-34-12-13-35-24(30)27-10-11-28(21(16-27)23(29)26-31)37(32,33)20-8-9-22(25-15-20)36-19-7-6-17-4-2-3-5-18(17)14-19;1-2-7-25-8-9-26(18(12-25)20(27)24-28)32(29,30)15-10-16(22)19(17(23)11-15)31-14-5-3-13(21)4-6-14;1-31-10-11-32-20(27)24-8-9-25(17(13-24)19(26)23-28)34(29,30)16-6-7-18(22-12-16)33-15-4-2-14(21)3-5-15;20-11-1-3-12(4-2-11)32-18-14(21)7-13(8-15(18)22)33(30,31)25-6-5-24(10-17(26)27)9-16(25)19(28)23-29/h1-4,7-11,22,34H,5-6,12-13H2,(H,30,33);6-9,14-15,21,31H,2-5,10-13,16H2,1H3,(H,26,29);2-6,10-11,18,28H,1,7-9,12H2,(H,24,27);2-7,12,17,28H,8-11,13H2,1H3,(H,23,26);1-4,7-8,16,29H,5-6,9-10H2,(H,23,28)(H,26,27)/t22-;21-;18-;17-;16-/m11111/s1
• InChIKey: UHXPWDRLDBRCRG-JVMUHIRNSA-N
• XLogP: 11.57
• TPSA: 664.18 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 38
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2697.80
LogP ≤ 5	11.57
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-[(3,5-dichlorophenyl)methylsulfonyl]-N-hydroxypiperazine-2-carboxamide;2-[(3R)-4-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-3-(hydroxycarbamoyl)piperazin-1-yl]acetic acid;(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-prop-2-enylpiperazine-2-carboxamide;2-methoxyethyl (3R)-4-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-3-(hydroxycarbamoyl)piperazine-1-carboxylate;2-methoxyethyl (3R)-3-(hydroxycarbamoyl)-4-[[6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]sulfonyl]piperazine-1-carboxylate?

The IUPAC name of (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-[(3,5-dichlorophenyl)methylsulfonyl]-N-hydroxypiperazine-2-carboxamide;2-[(3R)-4-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-3-(hydroxycarbamoyl)piperazin-1-yl]acetic acid;(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-prop-2-enylpiperazine-2-carboxamide;2-methoxyethyl (3R)-4-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-3-(hydroxycarbamoyl)piperazine-1-carboxylate;2-methoxyethyl (3R)-3-(hydroxycarbamoyl)-4-[[6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]sulfonyl]piperazine-1-carboxylate (CID 161096997) is (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-[(3,5-dichlorophenyl)methylsulfonyl]-N-hydroxypiperazine-2-carboxamide;2-[(3R)-4-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-3-(hydroxycarbamoyl)piperazin-1-yl]acetic acid;(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-prop-2-enylpiperazine-2-carboxamide;2-methoxyethyl (3R)-4-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-3-(hydroxycarbamoyl)piperazine-1-carboxylate;2-methoxyethyl (3R)-3-(hydroxycarbamoyl)-4-[[6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]sulfonyl]piperazine-1-carboxylate.

What is the SMILES notation for (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-[(3,5-dichlorophenyl)methylsulfonyl]-N-hydroxypiperazine-2-carboxamide;2-[(3R)-4-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-3-(hydroxycarbamoyl)piperazin-1-yl]acetic acid;(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-prop-2-enylpiperazine-2-carboxamide;2-methoxyethyl (3R)-4-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-3-(hydroxycarbamoyl)piperazine-1-carboxylate;2-methoxyethyl (3R)-3-(hydroxycarbamoyl)-4-[[6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]sulfonyl]piperazine-1-carboxylate?

The canonical SMILES for (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-[(3,5-dichlorophenyl)methylsulfonyl]-N-hydroxypiperazine-2-carboxamide;2-[(3R)-4-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-3-(hydroxycarbamoyl)piperazin-1-yl]acetic acid;(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-prop-2-enylpiperazine-2-carboxamide;2-methoxyethyl (3R)-4-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-3-(hydroxycarbamoyl)piperazine-1-carboxylate;2-methoxyethyl (3R)-3-(hydroxycarbamoyl)-4-[[6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]sulfonyl]piperazine-1-carboxylate is C=CCN1CCN(S(=O)(=O)c2cc(F)c(Oc3ccc(Cl)cc3)c(F)c2)[C@@H](C(=O)NO)C1.COCCOC(=O)N1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)nc2)[C@@H](C(=O)NO)C1.COCCOC(=O)N1CCN(S(=O)(=O)c2ccc(Oc3ccc4c(c3)CCCC4)nc2)[C@@H](C(=O)NO)C1.O=C(NO)[C@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCN1S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1.O=C(O)CN1CCN(S(=O)(=O)c2cc(F)c(Oc3ccc(Cl)cc3)c(F)c2)[C@@H](C(=O)NO)C1.

What is the InChIKey of (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-[(3,5-dichlorophenyl)methylsulfonyl]-N-hydroxypiperazine-2-carboxamide;2-[(3R)-4-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-3-(hydroxycarbamoyl)piperazin-1-yl]acetic acid;(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-prop-2-enylpiperazine-2-carboxamide;2-methoxyethyl (3R)-4-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-3-(hydroxycarbamoyl)piperazine-1-carboxylate;2-methoxyethyl (3R)-3-(hydroxycarbamoyl)-4-[[6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]sulfonyl]piperazine-1-carboxylate?

The InChIKey is UHXPWDRLDBRCRG-JVMUHIRNSA-N. The full InChI is InChI=1S/C24H20Cl3F2N3O7S2.C24H30N4O8S.C20H20ClF2N3O5S.C20H23FN4O8S.C19H18ClF2N3O7S/c25-15-1-3-18(4-2-15)39-23-20(28)10-19(11-21(23)29)41(37,38)32-6-5-31(12-22(32)24(33)30-34)40(35,36)13-14-7-16(26)9-17(27)8-14;1-34-12-13-35-24(30)27-10-11-28(21(16-27)23(29)26-31)37(32,33)20-8-9-22(25-15-20)36-19-7-6-17-4-2-3-5-18(17)14-19;1-2-7-25-8-9-26(18(12-25)20(27)24-28)32(29,30)15-10-16(22)19(17(23)11-15)31-14-5-3-13(21)4-6-14;1-31-10-11-32-20(27)24-8-9-25(17(13-24)19(26)23-28)34(29,30)16-6-7-18(22-12-16)33-15-4-2-14(21)3-5-15;20-11-1-3-12(4-2-11)32-18-14(21)7-13(8-15(18)22)33(30,31)25-6-5-24(10-17(26)27)9-16(25)19(28)23-29/h1-4,7-11,22,34H,5-6,12-13H2,(H,30,33);6-9,14-15,21,31H,2-5,10-13,16H2,1H3,(H,26,29);2-6,10-11,18,28H,1,7-9,12H2,(H,24,27);2-7,12,17,28H,8-11,13H2,1H3,(H,23,26);1-4,7-8,16,29H,5-6,9-10H2,(H,23,28)(H,26,27)/t22-;21-;18-;17-;16-/m11111/s1.

What are the key properties of (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-[(3,5-dichlorophenyl)methylsulfonyl]-N-hydroxypiperazine-2-carboxamide;2-[(3R)-4-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-3-(hydroxycarbamoyl)piperazin-1-yl]acetic acid;(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-prop-2-enylpiperazine-2-carboxamide;2-methoxyethyl (3R)-4-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-3-(hydroxycarbamoyl)piperazine-1-carboxylate;2-methoxyethyl (3R)-3-(hydroxycarbamoyl)-4-[[6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]sulfonyl]piperazine-1-carboxylate?

(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-[(3,5-dichlorophenyl)methylsulfonyl]-N-hydroxypiperazine-2-carboxamide;2-[(3R)-4-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-3-(hydroxycarbamoyl)piperazin-1-yl]acetic acid;(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-prop-2-enylpiperazine-2-carboxamide;2-methoxyethyl (3R)-4-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-3-(hydroxycarbamoyl)piperazine-1-carboxylate;2-methoxyethyl (3R)-3-(hydroxycarbamoyl)-4-[[6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]sulfonyl]piperazine-1-carboxylate has a molecular weight of 2697.80 g/mol, XLogP of 11.57, 38 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-[(3,5-dichlorophenyl)methylsulfonyl]-N-hydroxypiperazine-2-carboxamide;2-[(3R)-4-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-3-(hydroxycarbamoyl)piperazin-1-yl]acetic acid;(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-prop-2-enylpiperazine-2-carboxamide;2-methoxyethyl (3R)-4-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-3-(hydroxycarbamoyl)piperazine-1-carboxylate;2-methoxyethyl (3R)-3-(hydroxycarbamoyl)-4-[[6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]sulfonyl]piperazine-1-carboxylate is sourced from PubChem (CID 161096997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).