N-[2-[5-(4-aminophenyl)-3-chloro-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-cyclohexylmethanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide;3-[3-[2-(cyclohexylsulfonylamino)acetyl]-4-fluoro-5-methylphenyl]-N-methylbenzamide

C112H127Cl5F6N8O25S6 — CID 167555958

IUPACN-[2-[5-(4-aminophenyl)-3-chloro-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-cyclohexylmethanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide;3-[3-[2-(cyclohexylsulfonylamino)acetyl]-4-fluoro-5-methylphenyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cc(C)c(F)c(C(=O)CNS(=O)(=O)C3CCCCC3)c2)c1.Nc1ccc(-c2cc(Cl)c(F)c(C(=O)CNS(=O)(=O)C3CCOCC3)c2)cc1.O=C(CNS(=O)(=O)C1CCCCC1)c1cc(-c2ccc(O)cc2)cc(Cl)c1F.O=C(CNS(=O)(=O)C1CCCCC1)c1cc(CO)cc(Cl)c1F.O=C(CNS(=O)(=O)C1CCOCC1)c1cc(-c2ccc(O)cc2)cc(Cl)c1F.O=C(CNS(=O)(=O)CC1CCCCC1)c1cc(CO)cc(Cl)c1F
InChIInChI=1S/C23H27FN2O4S.C20H21ClFNO4S.C19H20ClFN2O4S.C19H19ClFNO5S.C16H21ClFNO4S.C15H19ClFNO4S/c1-15-11-18(16-7-6-8-17(12-16)23(28)25-2)13-20(22(15)24)21(27)14-26-31(29,30)19-9-4-3-5-10-19;21-18-11-14(13-6-8-15(24)9-7-13)10-17(20(18)22)19(25)12-23-28(26,27)16-4-2-1-3-5-16;20-17-10-13(12-1-3-14(22)4-2-12)9-16(19(17)21)18(24)11-23-28(25,26)15-5-7-27-8-6-15;20-17-10-13(12-1-3-14(23)4-2-12)9-16(19(17)21)18(24)11-22-28(25,26)15-5-7-27-8-6-15;17-14-7-12(9-20)6-13(16(14)18)15(21)8-19-24(22,23)10-11-4-2-1-3-5-11;16-13-7-10(9-19)6-12(15(13)17)14(20)8-18-23(21,22)11-4-2-1-3-5-11/h6-8,11-13,19,26H,3-5,9-10,14H2,1-2H3,(H,25,28);6-11,16,23-24H,1-5,12H2;1-4,9-10,15,23H,5-8,11,22H2;1-4,9-10,15,22-23H,5-8,11H2;6-7,11,19-20H,1-5,8-10H2;6-7,11,18-19H,1-5,8-9H2
InChIKeyDACKDFIWBCLSQB-UHFFFAOYSA-N
MW2468.93 g/mol
LogP19.08
Rot. Bonds38

About N-[2-[5-(4-aminophenyl)-3-chloro-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-cyclohexylmethanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide;3-[3-[2-(cyclohexylsulfonylamino)acetyl]-4-fluoro-5-methylphenyl]-N-methylbenzamide

N-[2-[5-(4-aminophenyl)-3-chloro-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-cyclohexylmethanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide;3-[3-[2-(cyclohexylsulfonylamino)acetyl]-4-fluoro-5-methylphenyl]-N-methylbenzamide (PubChem CID 167555958) has the molecular formula C112H127Cl5F6N8O25S6 and a molecular weight of 2468.93 g/mol. Its IUPAC name is N-[2-[5-(4-aminophenyl)-3-chloro-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-cyclohexylmethanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide;3-[3-[2-(cyclohexylsulfonylamino)acetyl]-4-fluoro-5-methylphenyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[5-(4-aminophenyl)-3-chloro-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-cyclohexylmethanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide;3-[3-[2-(cyclohexylsulfonylamino)acetyl]-4-fluoro-5-methylphenyl]-N-methylbenzamide
PubChem CID167555958
Molecular FormulaC112H127Cl5F6N8O25S6
Molecular Weight2468.93 g/mol
Exact Mass2464.56
IUPAC NameN-[2-[5-(4-aminophenyl)-3-chloro-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-cyclohexylmethanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide;3-[3-[2-(cyclohexylsulfonylamino)acetyl]-4-fluoro-5-methylphenyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cc(C)c(F)c(C(=O)CNS(=O)(=O)C3CCCCC3)c2)c1.Nc1ccc(-c2cc(Cl)c(F)c(C(=O)CNS(=O)(=O)C3CCOCC3)c2)cc1.O=C(CNS(=O)(=O)C1CCCCC1)c1cc(-c2ccc(O)cc2)cc(Cl)c1F.O=C(CNS(=O)(=O)C1CCCCC1)c1cc(CO)cc(Cl)c1F.O=C(CNS(=O)(=O)C1CCOCC1)c1cc(-c2ccc(O)cc2)cc(Cl)c1F.O=C(CNS(=O)(=O)CC1CCCCC1)c1cc(CO)cc(Cl)c1F
InChIInChI=1S/C23H27FN2O4S.C20H21ClFNO4S.C19H20ClFN2O4S.C19H19ClFNO5S.C16H21ClFNO4S.C15H19ClFNO4S/c1-15-11-18(16-7-6-8-17(12-16)23(28)25-2)13-20(22(15)24)21(27)14-26-31(29,30)19-9-4-3-5-10-19;21-18-11-14(13-6-8-15(24)9-7-13)10-17(20(18)22)19(25)12-23-28(26,27)16-4-2-1-3-5-16;20-17-10-13(12-1-3-14(22)4-2-12)9-16(19(17)21)18(24)11-23-28(25,26)15-5-7-27-8-6-15;20-17-10-13(12-1-3-14(23)4-2-12)9-16(19(17)21)18(24)11-22-28(25,26)15-5-7-27-8-6-15;17-14-7-12(9-20)6-13(16(14)18)15(21)8-19-24(22,23)10-11-4-2-1-3-5-11;16-13-7-10(9-19)6-12(15(13)17)14(20)8-18-23(21,22)11-4-2-1-3-5-11/h6-8,11-13,19,26H,3-5,9-10,14H2,1-2H3,(H,25,28);6-11,16,23-24H,1-5,12H2;1-4,9-10,15,23H,5-8,11,22H2;1-4,9-10,15,22-23H,5-8,11H2;6-7,11,19-20H,1-5,8-10H2;6-7,11,18-19H,1-5,8-9H2
InChIKeyDACKDFIWBCLSQB-UHFFFAOYSA-N
XLogP19.08
TPSA533.94 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds38
Heavy Atoms162
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002468.93
LogP ≤ 519.08
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[2-[5-(4-aminophenyl)-3-chloro-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-cyclohexylmethanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide;3-[3-[2-(cyclohexylsulfonylamino)acetyl]-4-fluoro-5-methylphenyl]-N-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-aminophenyl)-3-chloro-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-cyclohexylmethanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide;3-[3-[2-(cyclohexylsulfonylamino)acetyl]-4-fluoro-5-methylphenyl]-N-methylbenzamide?
The IUPAC name of N-[2-[5-(4-aminophenyl)-3-chloro-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-cyclohexylmethanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide;3-[3-[2-(cyclohexylsulfonylamino)acetyl]-4-fluoro-5-methylphenyl]-N-methylbenzamide (CID 167555958) is N-[2-[5-(4-aminophenyl)-3-chloro-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-cyclohexylmethanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide;3-[3-[2-(cyclohexylsulfonylamino)acetyl]-4-fluoro-5-methylphenyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[5-(4-aminophenyl)-3-chloro-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-cyclohexylmethanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide;3-[3-[2-(cyclohexylsulfonylamino)acetyl]-4-fluoro-5-methylphenyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[5-(4-aminophenyl)-3-chloro-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-cyclohexylmethanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide;3-[3-[2-(cyclohexylsulfonylamino)acetyl]-4-fluoro-5-methylphenyl]-N-methylbenzamide is CNC(=O)c1cccc(-c2cc(C)c(F)c(C(=O)CNS(=O)(=O)C3CCCCC3)c2)c1.Nc1ccc(-c2cc(Cl)c(F)c(C(=O)CNS(=O)(=O)C3CCOCC3)c2)cc1.O=C(CNS(=O)(=O)C1CCCCC1)c1cc(-c2ccc(O)cc2)cc(Cl)c1F.O=C(CNS(=O)(=O)C1CCCCC1)c1cc(CO)cc(Cl)c1F.O=C(CNS(=O)(=O)C1CCOCC1)c1cc(-c2ccc(O)cc2)cc(Cl)c1F.O=C(CNS(=O)(=O)CC1CCCCC1)c1cc(CO)cc(Cl)c1F.
What is the InChIKey of N-[2-[5-(4-aminophenyl)-3-chloro-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-cyclohexylmethanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide;3-[3-[2-(cyclohexylsulfonylamino)acetyl]-4-fluoro-5-methylphenyl]-N-methylbenzamide?
The InChIKey is DACKDFIWBCLSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4S.C20H21ClFNO4S.C19H20ClFN2O4S.C19H19ClFNO5S.C16H21ClFNO4S.C15H19ClFNO4S/c1-15-11-18(16-7-6-8-17(12-16)23(28)25-2)13-20(22(15)24)21(27)14-26-31(29,30)19-9-4-3-5-10-19;21-18-11-14(13-6-8-15(24)9-7-13)10-17(20(18)22)19(25)12-23-28(26,27)16-4-2-1-3-5-16;20-17-10-13(12-1-3-14(22)4-2-12)9-16(19(17)21)18(24)11-23-28(25,26)15-5-7-27-8-6-15;20-17-10-13(12-1-3-14(23)4-2-12)9-16(19(17)21)18(24)11-22-28(25,26)15-5-7-27-8-6-15;17-14-7-12(9-20)6-13(16(14)18)15(21)8-19-24(22,23)10-11-4-2-1-3-5-11;16-13-7-10(9-19)6-12(15(13)17)14(20)8-18-23(21,22)11-4-2-1-3-5-11/h6-8,11-13,19,26H,3-5,9-10,14H2,1-2H3,(H,25,28);6-11,16,23-24H,1-5,12H2;1-4,9-10,15,23H,5-8,11,22H2;1-4,9-10,15,22-23H,5-8,11H2;6-7,11,19-20H,1-5,8-10H2;6-7,11,18-19H,1-5,8-9H2.
What are the key properties of N-[2-[5-(4-aminophenyl)-3-chloro-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-cyclohexylmethanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide;3-[3-[2-(cyclohexylsulfonylamino)acetyl]-4-fluoro-5-methylphenyl]-N-methylbenzamide?
N-[2-[5-(4-aminophenyl)-3-chloro-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-cyclohexylmethanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide;3-[3-[2-(cyclohexylsulfonylamino)acetyl]-4-fluoro-5-methylphenyl]-N-methylbenzamide has a molecular weight of 2468.93 g/mol, XLogP of 19.08, 38 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-aminophenyl)-3-chloro-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-cyclohexylmethanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide;3-[3-[2-(cyclohexylsulfonylamino)acetyl]-4-fluoro-5-methylphenyl]-N-methylbenzamide is sourced from PubChem (CID 167555958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).