2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid

C13H16FNO5S — CID 43361649

IUPAC2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid
SMILESCOc1ccc(S(=O)(=O)NC(C)(C(=O)O)C2CC2)cc1F
InChIInChI=1S/C13H16FNO5S/c1-13(12(16)17,8-3-4-8)15-21(18,19)9-5-6-11(20-2)10(14)7-9/h5-8,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyVMQIPQUBJDMGDW-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.37
Rot. Bonds6

About 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid

2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid (PubChem CID 43361649) has the molecular formula C13H16FNO5S and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid
PubChem CID43361649
Molecular FormulaC13H16FNO5S
Molecular Weight317.34 g/mol
Exact Mass317.07
IUPAC Name2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid
SMILESCOc1ccc(S(=O)(=O)NC(C)(C(=O)O)C2CC2)cc1F
InChIInChI=1S/C13H16FNO5S/c1-13(12(16)17,8-3-4-8)15-21(18,19)9-5-6-11(20-2)10(14)7-9/h5-8,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyVMQIPQUBJDMGDW-UHFFFAOYSA-N
XLogP1.37
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]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-[(3-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylpropanoic acid
CID 43172952
2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid
CID 61199203
2-cyclopropyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanoic acid
CID 43361659
2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-cyclopropylpropanoic acid
CID 116527308
3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 64557210
2-cyclopropyl-2-[(4-propylphenyl)sulfonylamino]propanoic acid
CID 43361662
3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960633
3-fluoro-4-methoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685240
2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
CID 81283788
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61262298
3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-4-methoxybenzenesulfonamide
CID 115363072
methyl 5-[(3-fluoro-4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 122135831

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid (CID 43361649) is 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid is COc1ccc(S(=O)(=O)NC(C)(C(=O)O)C2CC2)cc1F.
What is the InChIKey of 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid?
The InChIKey is VMQIPQUBJDMGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO5S/c1-13(12(16)17,8-3-4-8)15-21(18,19)9-5-6-11(20-2)10(14)7-9/h5-8,15H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid?
2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid has a molecular weight of 317.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 43361649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).