2-(4-sulfamoylphenoxy)ethyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate

C19H22ClNO5S — CID 40741883

IUPAC2-(4-sulfamoylphenoxy)ethyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate
SMILESCC(C)[C@@H](C(=O)OCCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO5S/c1-13(2)18(14-3-5-15(20)6-4-14)19(22)26-12-11-25-16-7-9-17(10-8-16)27(21,23)24/h3-10,13,18H,11-12H2,1-2H3,(H2,21,23,24)/t18-/m1/s1
InChIKeyFUAPUBIREWVTTO-GOSISDBHSA-N
MW411.91 g/mol
LogP3.35
Rot. Bonds8

About 2-(4-sulfamoylphenoxy)ethyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate

2-(4-sulfamoylphenoxy)ethyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate (PubChem CID 40741883) has the molecular formula C19H22ClNO5S and a molecular weight of 411.91 g/mol. Its IUPAC name is 2-(4-sulfamoylphenoxy)ethyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate.

Molecular Properties

Compound Name2-(4-sulfamoylphenoxy)ethyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate
PubChem CID40741883
Molecular FormulaC19H22ClNO5S
Molecular Weight411.91 g/mol
Exact Mass411.09
IUPAC Name2-(4-sulfamoylphenoxy)ethyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate
SMILESCC(C)[C@@H](C(=O)OCCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO5S/c1-13(2)18(14-3-5-15(20)6-4-14)19(22)26-12-11-25-16-7-9-17(10-8-16)27(21,23)24/h3-10,13,18H,11-12H2,1-2H3,(H2,21,23,24)/t18-/m1/s1
InChIKeyFUAPUBIREWVTTO-GOSISDBHSA-N
XLogP3.35
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-sulfamoylphenoxy)ethyl 3-(4-chlorophenyl)sulfanylpropanoate
CID 8578378
2-(4-chlorophenoxy)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253861
2-(4-chlorophenoxy)ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 8844031
2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate
CID 34429524
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622
2-(4-sulfamoylphenoxy)ethyl 2-chloro-4,5-difluorobenzoate
CID 9229725
2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 110316930
lithium 2-(4-chlorophenyl)-3-methylbutanoate
CID 139900387
3-(4-butoxyphenyl)-4-methylpentan-2-one
CID 154210646
2-(4-chlorophenoxy)ethyl 4-(dimethylsulfamoyl)benzoate
CID 2602447
2-(4-chlorophenoxy)ethyl (2S)-2-benzamidopropanoate
CID 7571927
2-(4-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 2575812

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylphenoxy)ethyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate?
The IUPAC name of 2-(4-sulfamoylphenoxy)ethyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate (CID 40741883) is 2-(4-sulfamoylphenoxy)ethyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate.
What is the SMILES notation for 2-(4-sulfamoylphenoxy)ethyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate?
The canonical SMILES for 2-(4-sulfamoylphenoxy)ethyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate is CC(C)[C@@H](C(=O)OCCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-sulfamoylphenoxy)ethyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate?
The InChIKey is FUAPUBIREWVTTO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22ClNO5S/c1-13(2)18(14-3-5-15(20)6-4-14)19(22)26-12-11-25-16-7-9-17(10-8-16)27(21,23)24/h3-10,13,18H,11-12H2,1-2H3,(H2,21,23,24)/t18-/m1/s1.
What are the key properties of 2-(4-sulfamoylphenoxy)ethyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate?
2-(4-sulfamoylphenoxy)ethyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate has a molecular weight of 411.91 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylphenoxy)ethyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate is sourced from PubChem (CID 40741883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).