(2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate

C16H15BrNO5S- — CID 9115177

IUPAC(2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
SMILESCOc1ccc(Br)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C16H16BrNO5S/c1-23-14-8-7-12(17)10-15(14)24(21,22)18-13(16(19)20)9-11-5-3-2-4-6-11/h2-8,10,13,18H,9H2,1H3,(H,19,20)/p-1/t13-/m1/s1
InChIKeyFTHJHAUTKHTXBN-CYBMUJFWSA-M
MW413.27 g/mol
LogP1.10
Rot. Bonds7

About (2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate

(2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate (PubChem CID 9115177) has the molecular formula C16H15BrNO5S- and a molecular weight of 413.27 g/mol. Its IUPAC name is (2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Name(2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
PubChem CID9115177
Molecular FormulaC16H15BrNO5S-
Molecular Weight413.27 g/mol
Exact Mass411.99
IUPAC Name(2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
SMILESCOc1ccc(Br)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C16H16BrNO5S/c1-23-14-8-7-12(17)10-15(14)24(21,22)18-13(16(19)20)9-11-5-3-2-4-6-11/h2-8,10,13,18H,9H2,1H3,(H,19,20)/p-1/t13-/m1/s1
InChIKeyFTHJHAUTKHTXBN-CYBMUJFWSA-M
XLogP1.10
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 9115181
ethyl 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 5018434
(2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 9115180
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]butanedioic acid
CID 78907344
[(2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate
CID 156698276
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid
CID 43631274
(2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94861073
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28542324
(2R)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 1267668
3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 45439126
(2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid
CID 104934669
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 28542438

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate?
The IUPAC name of (2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate (CID 9115177) is (2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for (2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for (2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate is COc1ccc(Br)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)[O-].
What is the InChIKey of (2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate?
The InChIKey is FTHJHAUTKHTXBN-CYBMUJFWSA-M. The full InChI is InChI=1S/C16H16BrNO5S/c1-23-14-8-7-12(17)10-15(14)24(21,22)18-13(16(19)20)9-11-5-3-2-4-6-11/h2-8,10,13,18H,9H2,1H3,(H,19,20)/p-1/t13-/m1/s1.
What are the key properties of (2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate?
(2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate has a molecular weight of 413.27 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 9115177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).