methyl 4-[[4-chloro-2-[(2-propan-2-ylphenyl)sulfonylamino]phenoxy]methyl]benzoate

C24H24ClNO5S — CID 66918306

IUPACmethyl 4-[[4-chloro-2-[(2-propan-2-ylphenyl)sulfonylamino]phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(Cl)cc2NS(=O)(=O)c2ccccc2C(C)C)cc1
InChIInChI=1S/C24H24ClNO5S/c1-16(2)20-6-4-5-7-23(20)32(28,29)26-21-14-19(25)12-13-22(21)31-15-17-8-10-18(11-9-17)24(27)30-3/h4-14,16,26H,15H2,1-3H3
InChIKeyQKGBMJFGKGGCAG-UHFFFAOYSA-N
MW473.98 g/mol
LogP5.63
Rot. Bonds8

About methyl 4-[[4-chloro-2-[(2-propan-2-ylphenyl)sulfonylamino]phenoxy]methyl]benzoate

methyl 4-[[4-chloro-2-[(2-propan-2-ylphenyl)sulfonylamino]phenoxy]methyl]benzoate (PubChem CID 66918306) has the molecular formula C24H24ClNO5S and a molecular weight of 473.98 g/mol. Its IUPAC name is methyl 4-[[4-chloro-2-[(2-propan-2-ylphenyl)sulfonylamino]phenoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-chloro-2-[(2-propan-2-ylphenyl)sulfonylamino]phenoxy]methyl]benzoate
PubChem CID66918306
Molecular FormulaC24H24ClNO5S
Molecular Weight473.98 g/mol
Exact Mass473.11
IUPAC Namemethyl 4-[[4-chloro-2-[(2-propan-2-ylphenyl)sulfonylamino]phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(Cl)cc2NS(=O)(=O)c2ccccc2C(C)C)cc1
InChIInChI=1S/C24H24ClNO5S/c1-16(2)20-6-4-5-7-23(20)32(28,29)26-21-14-19(25)12-13-22(21)31-15-17-8-10-18(11-9-17)24(27)30-3/h4-14,16,26H,15H2,1-3H3
InChIKeyQKGBMJFGKGGCAG-UHFFFAOYSA-N
XLogP5.63
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.98
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[4-chloro-2-[(2-propan-2-ylphenyl)sulfonylamino]phenoxy]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate
CID 28825626
methyl 4-[[2-[[2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]phenyl]sulfonylamino]-5-(trifluoromethyl)phenoxy]methyl]benzoate
CID 66918500
ethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate
CID 177311356
4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid
CID 177311375
methyl 4-methyl-3-[(2-propan-2-ylphenyl)sulfamoyl]benzoate
CID 35507391
2-chloro-N-(5-chloro-2-methoxyphenyl)benzenesulfonamide
CID 4816687
methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate
CID 95036267
N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930
methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate
CID 43380184
N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
N-(5-chloro-2-methoxyphenyl)-4-ethoxy-3-propan-2-ylbenzenesulfonamide
CID 6456783
methyl 4-[[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanylmethyl]benzoate
CID 71738701

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-chloro-2-[(2-propan-2-ylphenyl)sulfonylamino]phenoxy]methyl]benzoate?
The IUPAC name of methyl 4-[[4-chloro-2-[(2-propan-2-ylphenyl)sulfonylamino]phenoxy]methyl]benzoate (CID 66918306) is methyl 4-[[4-chloro-2-[(2-propan-2-ylphenyl)sulfonylamino]phenoxy]methyl]benzoate.
What is the SMILES notation for methyl 4-[[4-chloro-2-[(2-propan-2-ylphenyl)sulfonylamino]phenoxy]methyl]benzoate?
The canonical SMILES for methyl 4-[[4-chloro-2-[(2-propan-2-ylphenyl)sulfonylamino]phenoxy]methyl]benzoate is COC(=O)c1ccc(COc2ccc(Cl)cc2NS(=O)(=O)c2ccccc2C(C)C)cc1.
What is the InChIKey of methyl 4-[[4-chloro-2-[(2-propan-2-ylphenyl)sulfonylamino]phenoxy]methyl]benzoate?
The InChIKey is QKGBMJFGKGGCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO5S/c1-16(2)20-6-4-5-7-23(20)32(28,29)26-21-14-19(25)12-13-22(21)31-15-17-8-10-18(11-9-17)24(27)30-3/h4-14,16,26H,15H2,1-3H3.
What are the key properties of methyl 4-[[4-chloro-2-[(2-propan-2-ylphenyl)sulfonylamino]phenoxy]methyl]benzoate?
methyl 4-[[4-chloro-2-[(2-propan-2-ylphenyl)sulfonylamino]phenoxy]methyl]benzoate has a molecular weight of 473.98 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-chloro-2-[(2-propan-2-ylphenyl)sulfonylamino]phenoxy]methyl]benzoate is sourced from PubChem (CID 66918306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).