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

C11H14ClNO4S — CID 28514238

IUPAC3-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO4S/c12-10-3-1-2-9(8-10)4-6-13-18(16,17)7-5-11(14)15/h1-3,8,13H,4-7H2,(H,14,15)
InChIKeyYQEWVYYYCVDBIQ-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.28
Rot. Bonds7

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

3-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid (PubChem CID 28514238) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid
PubChem CID28514238
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name3-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO4S/c12-10-3-1-2-9(8-10)4-6-13-18(16,17)7-5-11(14)15/h1-3,8,13H,4-7H2,(H,14,15)
InChIKeyYQEWVYYYCVDBIQ-UHFFFAOYSA-N
XLogP1.28
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid?
The IUPAC name of 3-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid (CID 28514238) is 3-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid?
The InChIKey is YQEWVYYYCVDBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c12-10-3-1-2-9(8-10)4-6-13-18(16,17)7-5-11(14)15/h1-3,8,13H,4-7H2,(H,14,15).
What are the key properties of 3-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid?
3-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid has a molecular weight of 291.76 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 28514238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).