methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate

C16H17NO5S — CID 3776760

IUPACmethyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(CO)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO5S/c1-22-16(19)15(11-18)17-23(20,21)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15,17-18H,11H2,1H3
InChIKeySAILMUHWTBLHPX-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.17
Rot. Bonds6

About methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate

methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate (PubChem CID 3776760) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate
PubChem CID3776760
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Namemethyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(CO)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO5S/c1-22-16(19)15(11-18)17-23(20,21)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15,17-18H,11H2,1H3
InChIKeySAILMUHWTBLHPX-UHFFFAOYSA-N
XLogP1.17
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate 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

methyl 2-[(4-phenylphenyl)sulfonylamino]pent-4-enoate
CID 23508264
methyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate
CID 43624280
methyl 3-methyl-2-[(4-phenylphenyl)sulfonylamino]butanoate
CID 3854139
methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 87040440
methyl 2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-5-phenylpent-4-ynoate
CID 10552138
(2R)-3-methyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]butanoic acid
CID 71347191
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid
CID 58279902
methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7426963
methyl 2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoate
CID 3837922
methyl 3-benzylsulfanyl-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 3320573
3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide
CID 58835331

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate (CID 3776760) is methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate is COC(=O)C(CO)NS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate?
The InChIKey is SAILMUHWTBLHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-22-16(19)15(11-18)17-23(20,21)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15,17-18H,11H2,1H3.
What are the key properties of methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate?
methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate has a molecular weight of 335.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 3776760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).