3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid

C16H15ClFNO5S — CID 25040131

IUPAC3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO5S/c1-24-14-7-4-11(17)8-15(14)25(22,23)19-13(9-16(20)21)10-2-5-12(18)6-3-10/h2-8,13,19H,9H2,1H3,(H,20,21)
InChIKeyUSMNEZGZIKMHJD-UHFFFAOYSA-N
MW387.82 g/mol
LogP2.98
Rot. Bonds7

About 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid

3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid (PubChem CID 25040131) has the molecular formula C16H15ClFNO5S and a molecular weight of 387.82 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid
PubChem CID25040131
Molecular FormulaC16H15ClFNO5S
Molecular Weight387.82 g/mol
Exact Mass387.03
IUPAC Name3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO5S/c1-24-14-7-4-11(17)8-15(14)25(22,23)19-13(9-16(20)21)10-2-5-12(18)6-3-10/h2-8,13,19H,9H2,1H3,(H,20,21)
InChIKeyUSMNEZGZIKMHJD-UHFFFAOYSA-N
XLogP2.98
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic 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

2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43906630
3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 45439126
5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 133160729
5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide
CID 95118942
N-[1,2-bis(4-methoxyphenyl)ethyl]-5-chloro-2-methoxybenzenesulfonamide
CID 56728698
methyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 55995317
methyl (3R)-3-(4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)sulfonylamino]propanoate
CID 94651707
(2S)-2-[(4-chloro-2-methoxyphenyl)sulfonylamino]butanedioic acid
CID 112733144
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 40917742
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 28549552
3-(2,3-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanoic acid
CID 3655460
N-[1-(4-chlorophenyl)propyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 51317743

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid (CID 25040131) is 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid is COc1ccc(Cl)cc1S(=O)(=O)NC(CC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid?
The InChIKey is USMNEZGZIKMHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO5S/c1-24-14-7-4-11(17)8-15(14)25(22,23)19-13(9-16(20)21)10-2-5-12(18)6-3-10/h2-8,13,19H,9H2,1H3,(H,20,21).
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid?
3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid has a molecular weight of 387.82 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 25040131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).