benzyl 3-hydroxy-4-[(4-phenoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylate

C24H24N2O6S — CID 68561745

IUPACbenzyl 3-hydroxy-4-[(4-phenoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC(O)C(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C24H24N2O6S/c27-23-16-26(24(28)31-17-18-7-3-1-4-8-18)15-22(23)25-33(29,30)21-13-11-20(12-14-21)32-19-9-5-2-6-10-19/h1-14,22-23,25,27H,15-17H2
InChIKeyUIWOGBOZJZGWJY-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.14
Rot. Bonds7

About benzyl 3-hydroxy-4-[(4-phenoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylate

benzyl 3-hydroxy-4-[(4-phenoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylate (PubChem CID 68561745) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is benzyl 3-hydroxy-4-[(4-phenoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-hydroxy-4-[(4-phenoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylate
PubChem CID68561745
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Namebenzyl 3-hydroxy-4-[(4-phenoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC(O)C(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C24H24N2O6S/c27-23-16-26(24(28)31-17-18-7-3-1-4-8-18)15-22(23)25-33(29,30)21-13-11-20(12-14-21)32-19-9-5-2-6-10-19/h1-14,22-23,25,27H,15-17H2
InChIKeyUIWOGBOZJZGWJY-UHFFFAOYSA-N
XLogP3.14
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-phenoxyphenyl)sulfonyl-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 86690059
benzyl (3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 59254368
(3R,4S)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 25418029
benzyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 178195250
benzyl (3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 91666693
benzyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 46939493
benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975
benzyl 3-(bromomethyl)azetidine-1-carboxylate
CID 175662964
benzyl 3-[(4-methylphenyl)sulfonyloxymethyl]azetidine-1-carboxylate
CID 171636863
benzyl (3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylate
CID 58473027
benzyl (3S,4R)-3-formyl-4-hydroxypyrrolidine-1-carboxylate
CID 89090444
benzyl 3-(methylsulfonylcarbamoyl)azetidine-1-carboxylate
CID 139367483

Frequently Asked Questions

What is the IUPAC name of benzyl 3-hydroxy-4-[(4-phenoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 3-hydroxy-4-[(4-phenoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylate (CID 68561745) is benzyl 3-hydroxy-4-[(4-phenoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 3-hydroxy-4-[(4-phenoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 3-hydroxy-4-[(4-phenoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CC(O)C(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of benzyl 3-hydroxy-4-[(4-phenoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylate?
The InChIKey is UIWOGBOZJZGWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c27-23-16-26(24(28)31-17-18-7-3-1-4-8-18)15-22(23)25-33(29,30)21-13-11-20(12-14-21)32-19-9-5-2-6-10-19/h1-14,22-23,25,27H,15-17H2.
What are the key properties of benzyl 3-hydroxy-4-[(4-phenoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylate?
benzyl 3-hydroxy-4-[(4-phenoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylate has a molecular weight of 468.53 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-hydroxy-4-[(4-phenoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 68561745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).