4-[2-(3-chlorophenyl)ethylsulfamoyl]butanoic acid

C12H16ClNO4S — CID 43362059

IUPAC4-[2-(3-chlorophenyl)ethylsulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO4S/c13-11-4-1-3-10(9-11)6-7-14-19(17,18)8-2-5-12(15)16/h1,3-4,9,14H,2,5-8H2,(H,15,16)
InChIKeyPIJWFTGDKXOELP-UHFFFAOYSA-N
MW305.78 g/mol
LogP1.67
Rot. Bonds8

About 4-[2-(3-chlorophenyl)ethylsulfamoyl]butanoic acid

4-[2-(3-chlorophenyl)ethylsulfamoyl]butanoic acid (PubChem CID 43362059) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)ethylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)ethylsulfamoyl]butanoic acid
PubChem CID43362059
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC Name4-[2-(3-chlorophenyl)ethylsulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO4S/c13-11-4-1-3-10(9-11)6-7-14-19(17,18)8-2-5-12(15)16/h1,3-4,9,14H,2,5-8H2,(H,15,16)
InChIKeyPIJWFTGDKXOELP-UHFFFAOYSA-N
XLogP1.67
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)ethylsulfamoyl]butanoic acid?
The IUPAC name of 4-[2-(3-chlorophenyl)ethylsulfamoyl]butanoic acid (CID 43362059) is 4-[2-(3-chlorophenyl)ethylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[2-(3-chlorophenyl)ethylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[2-(3-chlorophenyl)ethylsulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 4-[2-(3-chlorophenyl)ethylsulfamoyl]butanoic acid?
The InChIKey is PIJWFTGDKXOELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c13-11-4-1-3-10(9-11)6-7-14-19(17,18)8-2-5-12(15)16/h1,3-4,9,14H,2,5-8H2,(H,15,16).
What are the key properties of 4-[2-(3-chlorophenyl)ethylsulfamoyl]butanoic acid?
4-[2-(3-chlorophenyl)ethylsulfamoyl]butanoic acid has a molecular weight of 305.78 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)ethylsulfamoyl]butanoic acid is sourced from PubChem (CID 43362059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).