4-[2-[3-(3-chlorophenyl)propanoyl]phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;4-[2-(2-cyclopentylacetyl)phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)-4-[2-[3-(4-nitrophenyl)propanoyl]phenyl]sulfonylbutan-2-one;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-(2-methylpropyl)benzamide;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-propan-2-ylbenzamide

C114H120ClN3O27S5 — CID 161138569

IUPAC4-[2-[3-(3-chlorophenyl)propanoyl]phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;4-[2-(2-cyclopentylacetyl)phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)-4-[2-[3-(4-nitrophenyl)propanoyl]phenyl]sulfonylbutan-2-one;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-(2-methylpropyl)benzamide;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-propan-2-ylbenzamide
SMILESCC(C)CNC(=O)c1ccccc1S(=O)(=O)CCC(=O)Cc1ccc(O)cc1.CC(C)NC(=O)c1ccccc1S(=O)(=O)CCC(=O)Cc1ccc(O)cc1.O=C(CCS(=O)(=O)c1ccccc1C(=O)CC1CCCC1)Cc1ccc(O)cc1.O=C(CCS(=O)(=O)c1ccccc1C(=O)CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(O)cc1.O=C(CCS(=O)(=O)c1ccccc1C(=O)CCc1cccc(Cl)c1)Cc1ccc(O)cc1
InChIInChI=1S/C25H23ClO5S.C25H23NO7S.C23H26O5S.C21H25NO5S.C20H23NO5S/c26-20-5-3-4-18(16-20)10-13-24(29)23-6-1-2-7-25(23)32(30,31)15-14-22(28)17-19-8-11-21(27)12-9-19;27-21-12-7-19(8-13-21)17-22(28)15-16-34(32,33)25-4-2-1-3-23(25)24(29)14-9-18-5-10-20(11-6-18)26(30)31;24-19-11-9-18(10-12-19)15-20(25)13-14-29(27,28)23-8-4-3-7-21(23)22(26)16-17-5-1-2-6-17;1-15(2)14-22-21(25)19-5-3-4-6-20(19)28(26,27)12-11-18(24)13-16-7-9-17(23)10-8-16;1-14(2)21-20(24)18-5-3-4-6-19(18)27(25,26)12-11-17(23)13-15-7-9-16(22)10-8-15/h1-9,11-12,16,27H,10,13-15,17H2;1-8,10-13,27H,9,14-17H2;3-4,7-12,17,24H,1-2,5-6,13-16H2;3-10,15,23H,11-14H2,1-2H3,(H,22,25);3-10,14,22H,11-13H2,1-2H3,(H,21,24)
InChIKeyUNCYFHMTTXOJHM-UHFFFAOYSA-N
MW2160.00 g/mol
LogP18.32
Rot. Bonds47

About 4-[2-[3-(3-chlorophenyl)propanoyl]phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;4-[2-(2-cyclopentylacetyl)phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)-4-[2-[3-(4-nitrophenyl)propanoyl]phenyl]sulfonylbutan-2-one;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-(2-methylpropyl)benzamide;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-propan-2-ylbenzamide

4-[2-[3-(3-chlorophenyl)propanoyl]phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;4-[2-(2-cyclopentylacetyl)phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)-4-[2-[3-(4-nitrophenyl)propanoyl]phenyl]sulfonylbutan-2-one;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-(2-methylpropyl)benzamide;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-propan-2-ylbenzamide (PubChem CID 161138569) has the molecular formula C114H120ClN3O27S5 and a molecular weight of 2160.00 g/mol. Its IUPAC name is 4-[2-[3-(3-chlorophenyl)propanoyl]phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;4-[2-(2-cyclopentylacetyl)phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)-4-[2-[3-(4-nitrophenyl)propanoyl]phenyl]sulfonylbutan-2-one;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-(2-methylpropyl)benzamide;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[2-[3-(3-chlorophenyl)propanoyl]phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;4-[2-(2-cyclopentylacetyl)phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)-4-[2-[3-(4-nitrophenyl)propanoyl]phenyl]sulfonylbutan-2-one;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-(2-methylpropyl)benzamide;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-propan-2-ylbenzamide
PubChem CID161138569
Molecular FormulaC114H120ClN3O27S5
Molecular Weight2160.00 g/mol
Exact Mass2157.64
IUPAC Name4-[2-[3-(3-chlorophenyl)propanoyl]phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;4-[2-(2-cyclopentylacetyl)phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)-4-[2-[3-(4-nitrophenyl)propanoyl]phenyl]sulfonylbutan-2-one;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-(2-methylpropyl)benzamide;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-propan-2-ylbenzamide
SMILESCC(C)CNC(=O)c1ccccc1S(=O)(=O)CCC(=O)Cc1ccc(O)cc1.CC(C)NC(=O)c1ccccc1S(=O)(=O)CCC(=O)Cc1ccc(O)cc1.O=C(CCS(=O)(=O)c1ccccc1C(=O)CC1CCCC1)Cc1ccc(O)cc1.O=C(CCS(=O)(=O)c1ccccc1C(=O)CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(O)cc1.O=C(CCS(=O)(=O)c1ccccc1C(=O)CCc1cccc(Cl)c1)Cc1ccc(O)cc1
InChIInChI=1S/C25H23ClO5S.C25H23NO7S.C23H26O5S.C21H25NO5S.C20H23NO5S/c26-20-5-3-4-18(16-20)10-13-24(29)23-6-1-2-7-25(23)32(30,31)15-14-22(28)17-19-8-11-21(27)12-9-19;27-21-12-7-19(8-13-21)17-22(28)15-16-34(32,33)25-4-2-1-3-23(25)24(29)14-9-18-5-10-20(11-6-18)26(30)31;24-19-11-9-18(10-12-19)15-20(25)13-14-29(27,28)23-8-4-3-7-21(23)22(26)16-17-5-1-2-6-17;1-15(2)14-22-21(25)19-5-3-4-6-20(19)28(26,27)12-11-18(24)13-16-7-9-17(23)10-8-16;1-14(2)21-20(24)18-5-3-4-6-19(18)27(25,26)12-11-17(23)13-15-7-9-16(22)10-8-15/h1-9,11-12,16,27H,10,13-15,17H2;1-8,10-13,27H,9,14-17H2;3-4,7-12,17,24H,1-2,5-6,13-16H2;3-10,15,23H,11-14H2,1-2H3,(H,22,25);3-10,14,22H,11-13H2,1-2H3,(H,21,24)
InChIKeyUNCYFHMTTXOJHM-UHFFFAOYSA-N
XLogP18.32
TPSA509.75 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds47
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002160.00
LogP ≤ 518.32
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 4-[2-[3-(3-chlorophenyl)propanoyl]phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;4-[2-(2-cyclopentylacetyl)phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)-4-[2-[3-(4-nitrophenyl)propanoyl]phenyl]sulfonylbutan-2-one;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-(2-methylpropyl)benzamide;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-propan-2-ylbenzamide with MolForge

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Related Compounds

1-(4-methylphenyl)-4-[2-[3-(4-nitrophenyl)propanoyl]phenyl]sulfonylbutan-2-one
CID 167592957
N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide
CID 39932239
1-(3-chlorophenyl)-3-cyclopentylpropan-2-one
CID 62504262
2-cyclohexyloxy-N-(2-methylpropyl)-5-nitrobenzamide
CID 101094678
3-chloro-N-(2-methylpropyl)-2-nitrobenzamide
CID 79821508
(4-nitrophenyl)methyl N-(2-methylpropyl)carbamate
CID 22367016
4-chloro-2-nitro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 1122066
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911
N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
CID 83058575
1-(3-chlorophenyl)-N-(2-methylpropyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 4687262
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylbenzamide
CID 28544473
N-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
CID 129398707

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(3-chlorophenyl)propanoyl]phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;4-[2-(2-cyclopentylacetyl)phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)-4-[2-[3-(4-nitrophenyl)propanoyl]phenyl]sulfonylbutan-2-one;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-(2-methylpropyl)benzamide;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-[2-[3-(3-chlorophenyl)propanoyl]phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;4-[2-(2-cyclopentylacetyl)phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)-4-[2-[3-(4-nitrophenyl)propanoyl]phenyl]sulfonylbutan-2-one;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-(2-methylpropyl)benzamide;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-propan-2-ylbenzamide (CID 161138569) is 4-[2-[3-(3-chlorophenyl)propanoyl]phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;4-[2-(2-cyclopentylacetyl)phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)-4-[2-[3-(4-nitrophenyl)propanoyl]phenyl]sulfonylbutan-2-one;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-(2-methylpropyl)benzamide;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[2-[3-(3-chlorophenyl)propanoyl]phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;4-[2-(2-cyclopentylacetyl)phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)-4-[2-[3-(4-nitrophenyl)propanoyl]phenyl]sulfonylbutan-2-one;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-(2-methylpropyl)benzamide;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[2-[3-(3-chlorophenyl)propanoyl]phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;4-[2-(2-cyclopentylacetyl)phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)-4-[2-[3-(4-nitrophenyl)propanoyl]phenyl]sulfonylbutan-2-one;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-(2-methylpropyl)benzamide;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-propan-2-ylbenzamide is CC(C)CNC(=O)c1ccccc1S(=O)(=O)CCC(=O)Cc1ccc(O)cc1.CC(C)NC(=O)c1ccccc1S(=O)(=O)CCC(=O)Cc1ccc(O)cc1.O=C(CCS(=O)(=O)c1ccccc1C(=O)CC1CCCC1)Cc1ccc(O)cc1.O=C(CCS(=O)(=O)c1ccccc1C(=O)CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(O)cc1.O=C(CCS(=O)(=O)c1ccccc1C(=O)CCc1cccc(Cl)c1)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-[3-(3-chlorophenyl)propanoyl]phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;4-[2-(2-cyclopentylacetyl)phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)-4-[2-[3-(4-nitrophenyl)propanoyl]phenyl]sulfonylbutan-2-one;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-(2-methylpropyl)benzamide;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-propan-2-ylbenzamide?
The InChIKey is UNCYFHMTTXOJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClO5S.C25H23NO7S.C23H26O5S.C21H25NO5S.C20H23NO5S/c26-20-5-3-4-18(16-20)10-13-24(29)23-6-1-2-7-25(23)32(30,31)15-14-22(28)17-19-8-11-21(27)12-9-19;27-21-12-7-19(8-13-21)17-22(28)15-16-34(32,33)25-4-2-1-3-23(25)24(29)14-9-18-5-10-20(11-6-18)26(30)31;24-19-11-9-18(10-12-19)15-20(25)13-14-29(27,28)23-8-4-3-7-21(23)22(26)16-17-5-1-2-6-17;1-15(2)14-22-21(25)19-5-3-4-6-20(19)28(26,27)12-11-18(24)13-16-7-9-17(23)10-8-16;1-14(2)21-20(24)18-5-3-4-6-19(18)27(25,26)12-11-17(23)13-15-7-9-16(22)10-8-15/h1-9,11-12,16,27H,10,13-15,17H2;1-8,10-13,27H,9,14-17H2;3-4,7-12,17,24H,1-2,5-6,13-16H2;3-10,15,23H,11-14H2,1-2H3,(H,22,25);3-10,14,22H,11-13H2,1-2H3,(H,21,24).
What are the key properties of 4-[2-[3-(3-chlorophenyl)propanoyl]phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;4-[2-(2-cyclopentylacetyl)phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)-4-[2-[3-(4-nitrophenyl)propanoyl]phenyl]sulfonylbutan-2-one;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-(2-methylpropyl)benzamide;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-propan-2-ylbenzamide?
4-[2-[3-(3-chlorophenyl)propanoyl]phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;4-[2-(2-cyclopentylacetyl)phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)-4-[2-[3-(4-nitrophenyl)propanoyl]phenyl]sulfonylbutan-2-one;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-(2-methylpropyl)benzamide;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-propan-2-ylbenzamide has a molecular weight of 2160.00 g/mol, XLogP of 18.32, 47 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(3-chlorophenyl)propanoyl]phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;4-[2-(2-cyclopentylacetyl)phenyl]sulfonyl-1-(4-hydroxyphenyl)butan-2-one;1-(4-hydroxyphenyl)-4-[2-[3-(4-nitrophenyl)propanoyl]phenyl]sulfonylbutan-2-one;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-(2-methylpropyl)benzamide;2-[4-(4-hydroxyphenyl)-3-oxobutyl]sulfonyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 161138569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).