2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid

C11H12ClNO5S — CID 64583138

IUPAC2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid
SMILESCC(=O)NC(CS(=O)(=O)c1ccccc1Cl)C(=O)O
InChIInChI=1S/C11H12ClNO5S/c1-7(14)13-9(11(15)16)6-19(17,18)10-5-3-2-4-8(10)12/h2-5,9H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyAPBZPLRWOIVXRJ-UHFFFAOYSA-N
MW305.74 g/mol
LogP0.70
Rot. Bonds5

About 2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid

2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid (PubChem CID 64583138) has the molecular formula C11H12ClNO5S and a molecular weight of 305.74 g/mol. Its IUPAC name is 2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid
PubChem CID64583138
Molecular FormulaC11H12ClNO5S
Molecular Weight305.74 g/mol
Exact Mass305.01
IUPAC Name2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid
SMILESCC(=O)NC(CS(=O)(=O)c1ccccc1Cl)C(=O)O
InChIInChI=1S/C11H12ClNO5S/c1-7(14)13-9(11(15)16)6-19(17,18)10-5-3-2-4-8(10)12/h2-5,9H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyAPBZPLRWOIVXRJ-UHFFFAOYSA-N
XLogP0.70
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid
CID 65442832
2-acetamido-3-(4-bromophenyl)sulfonylpropanoic acid
CID 64583509
2-[(2-chlorophenyl)sulfonylamino]butanedioic acid
CID 71628754
2-acetamido-3-[(2-chlorophenyl)methylsulfanyl]propanoic acid
CID 53462760
2-acetamido-3-(2-chlorophenoxy)propanoic acid
CID 65443959
2-acetamido-3-(2-ethylsulfonylphenyl)sulfanylpropanoic acid
CID 107768391
(2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 28831674
2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid
CID 110504575
4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol
CID 71317728
2-acetamido-3-[(2-chlorophenyl)methylsulfinyl]propanoic acid
CID 103289187
1-(2-chlorophenyl)sulfonyl-3-methoxypropan-2-ol
CID 107508912
(2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 28828867

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid?
The IUPAC name of 2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid (CID 64583138) is 2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid.
What is the SMILES notation for 2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid?
The canonical SMILES for 2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid is CC(=O)NC(CS(=O)(=O)c1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid?
The InChIKey is APBZPLRWOIVXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO5S/c1-7(14)13-9(11(15)16)6-19(17,18)10-5-3-2-4-8(10)12/h2-5,9H,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid?
2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid has a molecular weight of 305.74 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid is sourced from PubChem (CID 64583138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).