2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoic acid

C16H15ClFNO4S — CID 23645762

IUPAC2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoic acid
SMILESCC(C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO4S/c1-11(16(20)21)19(10-12-4-2-3-5-15(12)17)24(22,23)14-8-6-13(18)7-9-14/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyGDOVNXIGAHBTDD-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.14
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoic acid

2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoic acid (PubChem CID 23645762) has the molecular formula C16H15ClFNO4S and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoic acid
PubChem CID23645762
Molecular FormulaC16H15ClFNO4S
Molecular Weight371.82 g/mol
Exact Mass371.04
IUPAC Name2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoic acid
SMILESCC(C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO4S/c1-11(16(20)21)19(10-12-4-2-3-5-15(12)17)24(22,23)14-8-6-13(18)7-9-14/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyGDOVNXIGAHBTDD-UHFFFAOYSA-N
XLogP3.14
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Carboxylic acid deriv. A21
CID 23645774
Carboxylic acid deriv. A22
CID 23645775
hydroxamate deriv. B9
CID 23645795
Carboxylic acid deriv. A2
CID 23645755
Carboxylic acid deriv. A4
CID 23645757
Carboxylic acid deriv. A5
CID 23645758
Carboxylic acid deriv. C1
CID 23645817
N-4-Toluenesulfonylureido-N-2-chlorobenzyl-L-alanine
CID 23645819
N-benzyl-N-[(4-fluorophenyl)sulfonyl]glycine
CID 757559
3-(N-benzyl2-chlorobenzenesulfonamido)propanoic acid
CID 2443720
3-(N-benzyl4-chloro-2-fluorobenzenesulfonamido)propanoic acid
CID 2443733
(R)-2-(N-benzyl-4-fluorophenylsulphonamido)-3-methylbutanoic acid
CID 23655713

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoic acid?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoic acid (CID 23645762) is 2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoic acid is CC(C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoic acid?
The InChIKey is GDOVNXIGAHBTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO4S/c1-11(16(20)21)19(10-12-4-2-3-5-15(12)17)24(22,23)14-8-6-13(18)7-9-14/h2-9,11H,10H2,1H3,(H,20,21).
What are the key properties of 2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoic acid?
2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoic acid has a molecular weight of 371.82 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 23645762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).