2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid

C15H13Cl2NO4S — CID 43827519

IUPAC2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO4S/c16-12-7-6-11(9-13(12)17)23(21,22)18-14(15(19)20)8-10-4-2-1-3-5-10/h1-7,9,14,18H,8H2,(H,19,20)
InChIKeyRTLDVFFNZJTCJF-UHFFFAOYSA-N
MW374.25 g/mol
LogP2.97
Rot. Bonds6

About 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid

2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid (PubChem CID 43827519) has the molecular formula C15H13Cl2NO4S and a molecular weight of 374.25 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid
PubChem CID43827519
Molecular FormulaC15H13Cl2NO4S
Molecular Weight374.25 g/mol
Exact Mass372.99
IUPAC Name2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO4S/c16-12-7-6-11(9-13(12)17)23(21,22)18-14(15(19)20)8-10-4-2-1-3-5-10/h1-7,9,14,18H,8H2,(H,19,20)
InChIKeyRTLDVFFNZJTCJF-UHFFFAOYSA-N
XLogP2.97
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid 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-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5013903
ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3798120
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 56726550
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 30143159
(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 1112091
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 983566
N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3335018
(2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104935542
(2S)-2-[(3-nitrophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 40597330
methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3673321
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 1190229
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 94863226

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid (CID 43827519) is 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid?
The InChIKey is RTLDVFFNZJTCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4S/c16-12-7-6-11(9-13(12)17)23(21,22)18-14(15(19)20)8-10-4-2-1-3-5-10/h1-7,9,14,18H,8H2,(H,19,20).
What are the key properties of 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid?
2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid has a molecular weight of 374.25 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 43827519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).