methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate

C16H17NO4S — CID 87040440

IUPACmethyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate
SMILESCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO4S/c1-12(16(18)21-2)17-22(19,20)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,17H,1-2H3/t12-/m0/s1
InChIKeyWYWGYYFWYQDZSD-LBPRGKRZSA-N
MW319.38 g/mol
LogP2.19
Rot. Bonds5

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

methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate (PubChem CID 87040440) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate
PubChem CID87040440
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Namemethyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate
SMILESCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO4S/c1-12(16(18)21-2)17-22(19,20)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,17H,1-2H3/t12-/m0/s1
InChIKeyWYWGYYFWYQDZSD-LBPRGKRZSA-N
XLogP2.19
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-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 (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
methyl 3-methyl-2-[(4-phenylphenyl)sulfonylamino]butanoate
CID 3854139
methyl 2-[[4-(4-acetamidophenyl)phenyl]sulfonylamino]propanoate
CID 17441403
methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 3776760
methyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate
CID 87040237
methyl 2-[(4-tert-butylphenyl)sulfonylamino]propanoate
CID 60626142
methyl 2-[(4-phenylphenyl)sulfonylamino]pent-4-enoate
CID 23508264
(2R)-2-(benzenesulfonamido)propanamide
CID 970705
(2R)-3-methyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]butanoic acid
CID 71347191
methyl 2-[[4-(bromomethyl)phenyl]sulfonylamino]propanoate
CID 65480230
N-(1-aminoethyl)-4-phenylbenzenesulfonamide;hydrochloride
CID 175511527
N-(1,1-dimethoxypropan-2-yl)-4-phenylbenzenesulfonamide
CID 25039128

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate?
The IUPAC name of methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate (CID 87040440) is methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate is COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate?
The InChIKey is WYWGYYFWYQDZSD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-12(16(18)21-2)17-22(19,20)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,17H,1-2H3/t12-/m0/s1.
What are the key properties of methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate?
methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate has a molecular weight of 319.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 87040440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).