2-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid

C11H14ClNO4S — CID 54947855

IUPAC2-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO4S/c1-8(11(14)15)18(16,17)13-6-5-9-3-2-4-10(12)7-9/h2-4,7-8,13H,5-6H2,1H3,(H,14,15)
InChIKeyNACURPVWPWOVMB-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.27
Rot. Bonds6

About 2-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid

2-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid (PubChem CID 54947855) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid
PubChem CID54947855
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name2-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO4S/c1-8(11(14)15)18(16,17)13-6-5-9-3-2-4-10(12)7-9/h2-4,7-8,13H,5-6H2,1H3,(H,14,15)
InChIKeyNACURPVWPWOVMB-UHFFFAOYSA-N
XLogP1.27
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid?
The IUPAC name of 2-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid (CID 54947855) is 2-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid?
The InChIKey is NACURPVWPWOVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-8(11(14)15)18(16,17)13-6-5-9-3-2-4-10(12)7-9/h2-4,7-8,13H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid?
2-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid has a molecular weight of 291.76 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 54947855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).