2-chloro-N-(oxan-2-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-[4-[4-(2-methoxyphenyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfonylbenzamide;N-hydroxy-2-(2-methoxyethoxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-(oxan-2-yloxy)-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide

C115H132ClF6N11O33S6 — CID 158527798

IUPAC2-chloro-N-(oxan-2-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-[4-[4-(2-methoxyphenyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfonylbenzamide;N-hydroxy-2-(2-methoxyethoxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-(oxan-2-yloxy)-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide
SMILESCOCCOc1cccc(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)c1C(=O)NO.COc1ccc(S(=O)(=O)N2CCC(Sc3ccccc3)CC2)c(C(=O)NO)c1OC.COc1ccccc1-c1ccc(OC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3C(=O)NO)CC2)cc1.O=C(NOC1CCCCO1)c1c(Cl)cccc1S(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1.O=C(NOC1CCCCO1)c1ccccc1S(=O)(=O)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C27H30N2O8S.C24H26ClF3N2O6S.C22H25F3N2O7S.C22H27N3O6S.C20H24N2O6S2/c1-34-22-7-5-4-6-21(22)18-8-10-19(11-9-18)37-20-14-16-29(17-15-20)38(32,33)24-13-12-23(35-2)26(36-3)25(24)27(30)28-31;25-19-4-3-5-20(22(19)23(31)29-36-21-6-1-2-15-34-21)37(32,33)30-13-11-18(12-14-30)35-17-9-7-16(8-10-17)24(26,27)28;1-32-13-14-33-18-3-2-4-19(20(18)21(28)26-29)35(30,31)27-11-9-17(10-12-27)34-16-7-5-15(6-8-16)22(23,24)25;26-22(24-31-21-7-3-4-16-29-21)19-5-1-2-6-20(19)32(27,28)25-14-10-18(11-15-25)30-17-8-12-23-13-9-17;1-27-16-8-9-17(18(19(16)28-2)20(23)21-24)30(25,26)22-12-10-15(11-13-22)29-14-6-4-3-5-7-14/h4-13,20,31H,14-17H2,1-3H3,(H,28,30);3-5,7-10,18,21H,1-2,6,11-15H2,(H,29,31);2-8,17,29H,9-14H2,1H3,(H,26,28);1-2,5-6,8-9,12-13,18,21H,3-4,7,10-11,14-16H2,(H,24,26);3-9,15,24H,10-13H2,1-2H3,(H,21,23)
InChIKeyHMZMSVGSXJEKEP-UHFFFAOYSA-N
MW2538.21 g/mol
LogP16.86
Rot. Bonds39

About 2-chloro-N-(oxan-2-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-[4-[4-(2-methoxyphenyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfonylbenzamide;N-hydroxy-2-(2-methoxyethoxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-(oxan-2-yloxy)-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide

2-chloro-N-(oxan-2-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-[4-[4-(2-methoxyphenyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfonylbenzamide;N-hydroxy-2-(2-methoxyethoxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-(oxan-2-yloxy)-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide (PubChem CID 158527798) has the molecular formula C115H132ClF6N11O33S6 and a molecular weight of 2538.21 g/mol. Its IUPAC name is 2-chloro-N-(oxan-2-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-[4-[4-(2-methoxyphenyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfonylbenzamide;N-hydroxy-2-(2-methoxyethoxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-(oxan-2-yloxy)-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(oxan-2-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-[4-[4-(2-methoxyphenyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfonylbenzamide;N-hydroxy-2-(2-methoxyethoxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-(oxan-2-yloxy)-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide
PubChem CID158527798
Molecular FormulaC115H132ClF6N11O33S6
Molecular Weight2538.21 g/mol
Exact Mass2535.69
IUPAC Name2-chloro-N-(oxan-2-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-[4-[4-(2-methoxyphenyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfonylbenzamide;N-hydroxy-2-(2-methoxyethoxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-(oxan-2-yloxy)-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide
SMILESCOCCOc1cccc(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)c1C(=O)NO.COc1ccc(S(=O)(=O)N2CCC(Sc3ccccc3)CC2)c(C(=O)NO)c1OC.COc1ccccc1-c1ccc(OC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3C(=O)NO)CC2)cc1.O=C(NOC1CCCCO1)c1c(Cl)cccc1S(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1.O=C(NOC1CCCCO1)c1ccccc1S(=O)(=O)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C27H30N2O8S.C24H26ClF3N2O6S.C22H25F3N2O7S.C22H27N3O6S.C20H24N2O6S2/c1-34-22-7-5-4-6-21(22)18-8-10-19(11-9-18)37-20-14-16-29(17-15-20)38(32,33)24-13-12-23(35-2)26(36-3)25(24)27(30)28-31;25-19-4-3-5-20(22(19)23(31)29-36-21-6-1-2-15-34-21)37(32,33)30-13-11-18(12-14-30)35-17-9-7-16(8-10-17)24(26,27)28;1-32-13-14-33-18-3-2-4-19(20(18)21(28)26-29)35(30,31)27-11-9-17(10-12-27)34-16-7-5-15(6-8-16)22(23,24)25;26-22(24-31-21-7-3-4-16-29-21)19-5-1-2-6-20(19)32(27,28)25-14-10-18(11-15-25)30-17-8-12-23-13-9-17;1-27-16-8-9-17(18(19(16)28-2)20(23)21-24)30(25,26)22-12-10-15(11-13-22)29-14-6-4-3-5-7-14/h4-13,20,31H,14-17H2,1-3H3,(H,28,30);3-5,7-10,18,21H,1-2,6,11-15H2,(H,29,31);2-8,17,29H,9-14H2,1H3,(H,26,28);1-2,5-6,8-9,12-13,18,21H,3-4,7,10-11,14-16H2,(H,24,26);3-9,15,24H,10-13H2,1-2H3,(H,21,23)
InChIKeyHMZMSVGSXJEKEP-UHFFFAOYSA-N
XLogP16.86
TPSA544.43 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds39
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002538.21
LogP ≤ 516.86
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(oxan-2-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-[4-[4-(2-methoxyphenyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfonylbenzamide;N-hydroxy-2-(2-methoxyethoxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-(oxan-2-yloxy)-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide with MolForge

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Related Compounds

3-(hydroxymethyl)-2-methoxy-N-(oxan-2-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide
CID 21061219
5-(4-butoxypiperidin-1-yl)sulfonyl-N-hydroxy-1,3-benzodioxole-4-carboxamide;6-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-2,3-dimethoxybenzamide;N-hydroxy-2,3-dimethoxy-6-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenoxypiperidin-1-yl)sulfonylbenzamide;N-hydroxy-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzodioxole-4-carboxamide;N-hydroxy-2-(oxan-4-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2-(4-pyridin-2-yloxypiperidin-1-yl)sulfonylbenzamide
CID 158094775
2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide
CID 20613325
N-hydroxy-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide
CID 10177607
N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2-[3-[(4-methoxybenzoyl)amino]pyrrolidin-1-yl]sulfonylbenzamide;N-hydroxy-2-[(4-phenoxyphenyl)sulfamoyl]benzamide;N-hydroxy-2-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]sulfonylbenzamide
CID 157230865
2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzoic acid
CID 20613333
2-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-N-(oxan-2-yloxy)benzamide
CID 20613339
ethane;N-(oxan-2-yloxy)-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfanylbenzamide
CID 142096208
1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-3-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzene-1,2-dicarboxamide
CID 20613481
N-(oxan-2-yloxy)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfinylbenzamide
CID 142096192
N-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen
CID 160946886
N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide
CID 142028119

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxan-2-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-[4-[4-(2-methoxyphenyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfonylbenzamide;N-hydroxy-2-(2-methoxyethoxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-(oxan-2-yloxy)-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of 2-chloro-N-(oxan-2-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-[4-[4-(2-methoxyphenyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfonylbenzamide;N-hydroxy-2-(2-methoxyethoxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-(oxan-2-yloxy)-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide (CID 158527798) is 2-chloro-N-(oxan-2-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-[4-[4-(2-methoxyphenyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfonylbenzamide;N-hydroxy-2-(2-methoxyethoxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-(oxan-2-yloxy)-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(oxan-2-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-[4-[4-(2-methoxyphenyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfonylbenzamide;N-hydroxy-2-(2-methoxyethoxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-(oxan-2-yloxy)-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(oxan-2-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-[4-[4-(2-methoxyphenyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfonylbenzamide;N-hydroxy-2-(2-methoxyethoxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-(oxan-2-yloxy)-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide is COCCOc1cccc(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)c1C(=O)NO.COc1ccc(S(=O)(=O)N2CCC(Sc3ccccc3)CC2)c(C(=O)NO)c1OC.COc1ccccc1-c1ccc(OC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3C(=O)NO)CC2)cc1.O=C(NOC1CCCCO1)c1c(Cl)cccc1S(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1.O=C(NOC1CCCCO1)c1ccccc1S(=O)(=O)N1CCC(Oc2ccncc2)CC1.
What is the InChIKey of 2-chloro-N-(oxan-2-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-[4-[4-(2-methoxyphenyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfonylbenzamide;N-hydroxy-2-(2-methoxyethoxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-(oxan-2-yloxy)-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide?
The InChIKey is HMZMSVGSXJEKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O8S.C24H26ClF3N2O6S.C22H25F3N2O7S.C22H27N3O6S.C20H24N2O6S2/c1-34-22-7-5-4-6-21(22)18-8-10-19(11-9-18)37-20-14-16-29(17-15-20)38(32,33)24-13-12-23(35-2)26(36-3)25(24)27(30)28-31;25-19-4-3-5-20(22(19)23(31)29-36-21-6-1-2-15-34-21)37(32,33)30-13-11-18(12-14-30)35-17-9-7-16(8-10-17)24(26,27)28;1-32-13-14-33-18-3-2-4-19(20(18)21(28)26-29)35(30,31)27-11-9-17(10-12-27)34-16-7-5-15(6-8-16)22(23,24)25;26-22(24-31-21-7-3-4-16-29-21)19-5-1-2-6-20(19)32(27,28)25-14-10-18(11-15-25)30-17-8-12-23-13-9-17;1-27-16-8-9-17(18(19(16)28-2)20(23)21-24)30(25,26)22-12-10-15(11-13-22)29-14-6-4-3-5-7-14/h4-13,20,31H,14-17H2,1-3H3,(H,28,30);3-5,7-10,18,21H,1-2,6,11-15H2,(H,29,31);2-8,17,29H,9-14H2,1H3,(H,26,28);1-2,5-6,8-9,12-13,18,21H,3-4,7,10-11,14-16H2,(H,24,26);3-9,15,24H,10-13H2,1-2H3,(H,21,23).
What are the key properties of 2-chloro-N-(oxan-2-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-[4-[4-(2-methoxyphenyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfonylbenzamide;N-hydroxy-2-(2-methoxyethoxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-(oxan-2-yloxy)-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide?
2-chloro-N-(oxan-2-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-[4-[4-(2-methoxyphenyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfonylbenzamide;N-hydroxy-2-(2-methoxyethoxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-(oxan-2-yloxy)-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide has a molecular weight of 2538.21 g/mol, XLogP of 16.86, 39 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxan-2-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-[4-[4-(2-methoxyphenyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfonylbenzamide;N-hydroxy-2-(2-methoxyethoxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-(oxan-2-yloxy)-2-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 158527798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).