methyl (2S)-2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]-3-hydroxypropanoate

C17H17ClN2O6S — CID 9277457

IUPACmethyl (2S)-2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]-3-hydroxypropanoate
SMILESCOC(=O)[C@H](CO)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H17ClN2O6S/c1-26-17(23)15(10-21)19-16(22)11-4-2-7-14(8-11)27(24,25)20-13-6-3-5-12(18)9-13/h2-9,15,20-21H,10H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyDLGUNGMOGNCUDX-HNNXBMFYSA-N
MW412.85 g/mol
LogP1.40
Rot. Bonds7

About methyl (2S)-2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]-3-hydroxypropanoate

methyl (2S)-2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]-3-hydroxypropanoate (PubChem CID 9277457) has the molecular formula C17H17ClN2O6S and a molecular weight of 412.85 g/mol. Its IUPAC name is methyl (2S)-2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]-3-hydroxypropanoate
PubChem CID9277457
Molecular FormulaC17H17ClN2O6S
Molecular Weight412.85 g/mol
Exact Mass412.05
IUPAC Namemethyl (2S)-2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]-3-hydroxypropanoate
SMILESCOC(=O)[C@H](CO)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H17ClN2O6S/c1-26-17(23)15(10-21)19-16(22)11-4-2-7-14(8-11)27(24,25)20-13-6-3-5-12(18)9-13/h2-9,15,20-21H,10H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyDLGUNGMOGNCUDX-HNNXBMFYSA-N
XLogP1.40
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.85
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]-3-hydroxypropanoate 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

3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
methyl (2S)-2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-3-hydroxypropanoate
CID 9275578
3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide
CID 24560167
3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300326
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062201
3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062198
2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 4135322
(2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 23793307
3-[(3-chlorophenyl)sulfamoyl]-N-(2-hydroxyphenyl)benzamide
CID 24564068
2-chloro-N-[2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]ethyl]benzamide
CID 55659484
3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 134058784
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 27648381

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]-3-hydroxypropanoate?
The IUPAC name of methyl (2S)-2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]-3-hydroxypropanoate (CID 9277457) is methyl (2S)-2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl (2S)-2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]-3-hydroxypropanoate?
The canonical SMILES for methyl (2S)-2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]-3-hydroxypropanoate is COC(=O)[C@H](CO)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of methyl (2S)-2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]-3-hydroxypropanoate?
The InChIKey is DLGUNGMOGNCUDX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17ClN2O6S/c1-26-17(23)15(10-21)19-16(22)11-4-2-7-14(8-11)27(24,25)20-13-6-3-5-12(18)9-13/h2-9,15,20-21H,10H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of methyl (2S)-2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]-3-hydroxypropanoate?
methyl (2S)-2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]-3-hydroxypropanoate has a molecular weight of 412.85 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]-3-hydroxypropanoate is sourced from PubChem (CID 9277457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).