(2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate

C15H12F2NO4S- — CID 2123699

IUPAC(2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate
SMILESO=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H13F2NO4S/c16-11-6-7-14(12(17)9-11)23(21,22)18-13(15(19)20)8-10-4-2-1-3-5-10/h1-7,9,13,18H,8H2,(H,19,20)/p-1/t13-/m1/s1
InChIKeyRXRYXPWRZKMBFO-CYBMUJFWSA-M
MW340.33 g/mol
LogP0.60
Rot. Bonds6

About (2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate

(2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate (PubChem CID 2123699) has the molecular formula C15H12F2NO4S- and a molecular weight of 340.33 g/mol. Its IUPAC name is (2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Name(2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate
PubChem CID2123699
Molecular FormulaC15H12F2NO4S-
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC Name(2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate
SMILESO=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H13F2NO4S/c16-11-6-7-14(12(17)9-11)23(21,22)18-13(15(19)20)8-10-4-2-1-3-5-10/h1-7,9,13,18H,8H2,(H,19,20)/p-1/t13-/m1/s1
InChIKeyRXRYXPWRZKMBFO-CYBMUJFWSA-M
XLogP0.60
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3825540
sodium (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 139844001
[(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 150710755
(2R)-2-[(4-aminophenyl)sulfonylamino]-3-phenylpropanoate
CID 6942145
2-[(3,4-dimethylphenyl)sulfonylamino]-3-phenylpropanoate
CID 4984236
methyl (2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 45479958
3-[[(1S)-1-carboxylato-2-phenylethyl]sulfamoyl]-4-chlorobenzoate
CID 2327725
(2S)-2-[(2,4-difluorophenyl)sulfonylamino]pentanedioic acid
CID 61144131
(2S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540814
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-methyl-3-phenylpropanamide
CID 28540532
(2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 9115177
(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 9115181

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate?
The IUPAC name of (2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate (CID 2123699) is (2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for (2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for (2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate is O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of (2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate?
The InChIKey is RXRYXPWRZKMBFO-CYBMUJFWSA-M. The full InChI is InChI=1S/C15H13F2NO4S/c16-11-6-7-14(12(17)9-11)23(21,22)18-13(15(19)20)8-10-4-2-1-3-5-10/h1-7,9,13,18H,8H2,(H,19,20)/p-1/t13-/m1/s1.
What are the key properties of (2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate?
(2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate has a molecular weight of 340.33 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 2123699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).