[2-(benzenesulfonamido)-2-(4-hydroxyphenyl)ethyl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate

C57H47NO11S — CID 10677355

IUPAC[2-(benzenesulfonamido)-2-(4-hydroxyphenyl)ethyl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate
SMILESO=C(OCC(NS(=O)(=O)c1ccccc1)c1ccc(O)cc1)c1cc(OCc2ccccc2)c(C(=O)c2c(OCc3ccccc3)cccc2C(=O)OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C57H47NO11S/c59-46-31-29-44(30-32-46)49(58-70(63,64)47-25-14-5-15-26-47)39-69-56(61)45-33-51(66-36-41-19-8-2-9-20-41)54(52(34-45)67-37-42-21-10-3-11-22-42)55(60)53-48(57(62)68-38-43-23-12-4-13-24-43)27-16-28-50(53)65-35-40-17-6-1-7-18-40/h1-34,49,58-59H,35-39H2
InChIKeyLLPGDLUMWIUCHI-UHFFFAOYSA-N
MW954.07 g/mol
LogP10.59
Rot. Bonds21

About [2-(benzenesulfonamido)-2-(4-hydroxyphenyl)ethyl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate

[2-(benzenesulfonamido)-2-(4-hydroxyphenyl)ethyl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate (PubChem CID 10677355) has the molecular formula C57H47NO11S and a molecular weight of 954.07 g/mol. Its IUPAC name is [2-(benzenesulfonamido)-2-(4-hydroxyphenyl)ethyl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate.

Molecular Properties

Compound Name[2-(benzenesulfonamido)-2-(4-hydroxyphenyl)ethyl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate
PubChem CID10677355
Molecular FormulaC57H47NO11S
Molecular Weight954.07 g/mol
Exact Mass953.29
IUPAC Name[2-(benzenesulfonamido)-2-(4-hydroxyphenyl)ethyl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate
SMILESO=C(OCC(NS(=O)(=O)c1ccccc1)c1ccc(O)cc1)c1cc(OCc2ccccc2)c(C(=O)c2c(OCc3ccccc3)cccc2C(=O)OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C57H47NO11S/c59-46-31-29-44(30-32-46)49(58-70(63,64)47-25-14-5-15-26-47)39-69-56(61)45-33-51(66-36-41-19-8-2-9-20-41)54(52(34-45)67-37-42-21-10-3-11-22-42)55(60)53-48(57(62)68-38-43-23-12-4-13-24-43)27-16-28-50(53)65-35-40-17-6-1-7-18-40/h1-34,49,58-59H,35-39H2
InChIKeyLLPGDLUMWIUCHI-UHFFFAOYSA-N
XLogP10.59
TPSA163.76 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500954.07
LogP ≤ 510.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

tert-butyl 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxycarbonylbenzoyl)benzoate
CID 11006693
[2-[(2-methoxy-4-phenylbenzoyl)amino]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate
CID 23366106
2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate
CID 139957940
[3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-hydroxybenzoate
CID 4843468
benzyl 3,4,5-trihydroxybenzoate
CID 16656514
benzyl 2-hydroxy-3-methoxybenzoate
CID 18075523
benzyl 2-[(3-aminophenyl)sulfonylamino]benzoate
CID 4784542
2-[(4-propan-2-ylphenyl)methoxy]benzoic acid;(4-propan-2-ylphenyl)methyl 2-hydroxybenzoate
CID 158933022
benzyl 3-(2-ethenyl-3-phenylmethoxybenzoyl)oxy-4-iodo-5-phenylmethoxybenzoate
CID 11377479
benzyl 4-chloro-2-phenylmethoxybenzoate
CID 66989997
N-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide
CID 134878745
N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955383

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonamido)-2-(4-hydroxyphenyl)ethyl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate?
The IUPAC name of [2-(benzenesulfonamido)-2-(4-hydroxyphenyl)ethyl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate (CID 10677355) is [2-(benzenesulfonamido)-2-(4-hydroxyphenyl)ethyl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate.
What is the SMILES notation for [2-(benzenesulfonamido)-2-(4-hydroxyphenyl)ethyl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate?
The canonical SMILES for [2-(benzenesulfonamido)-2-(4-hydroxyphenyl)ethyl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate is O=C(OCC(NS(=O)(=O)c1ccccc1)c1ccc(O)cc1)c1cc(OCc2ccccc2)c(C(=O)c2c(OCc3ccccc3)cccc2C(=O)OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of [2-(benzenesulfonamido)-2-(4-hydroxyphenyl)ethyl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate?
The InChIKey is LLPGDLUMWIUCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H47NO11S/c59-46-31-29-44(30-32-46)49(58-70(63,64)47-25-14-5-15-26-47)39-69-56(61)45-33-51(66-36-41-19-8-2-9-20-41)54(52(34-45)67-37-42-21-10-3-11-22-42)55(60)53-48(57(62)68-38-43-23-12-4-13-24-43)27-16-28-50(53)65-35-40-17-6-1-7-18-40/h1-34,49,58-59H,35-39H2.
What are the key properties of [2-(benzenesulfonamido)-2-(4-hydroxyphenyl)ethyl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate?
[2-(benzenesulfonamido)-2-(4-hydroxyphenyl)ethyl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate has a molecular weight of 954.07 g/mol, XLogP of 10.59, 21 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonamido)-2-(4-hydroxyphenyl)ethyl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate is sourced from PubChem (CID 10677355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).