3-[(4-chlorophenyl)sulfonylamino]propanoic acid

C9H10ClNO4S — CID 823000

IUPAC3-[(4-chlorophenyl)sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO4S/c10-7-1-3-8(4-2-7)16(14,15)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeyLLOGDSQFNVFUAW-UHFFFAOYSA-N
MW263.70 g/mol
LogP1.09
Rot. Bonds5

About 3-[(4-chlorophenyl)sulfonylamino]propanoic acid

3-[(4-chlorophenyl)sulfonylamino]propanoic acid (PubChem CID 823000) has the molecular formula C9H10ClNO4S and a molecular weight of 263.70 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]propanoic acid
PubChem CID823000
Molecular FormulaC9H10ClNO4S
Molecular Weight263.70 g/mol
Exact Mass263.00
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO4S/c10-7-1-3-8(4-2-7)16(14,15)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeyLLOGDSQFNVFUAW-UHFFFAOYSA-N
XLogP1.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]propanoic acid (CID 823000) is 3-[(4-chlorophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]propanoic acid is O=C(O)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]propanoic acid?
The InChIKey is LLOGDSQFNVFUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4S/c10-7-1-3-8(4-2-7)16(14,15)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]propanoic acid?
3-[(4-chlorophenyl)sulfonylamino]propanoic acid has a molecular weight of 263.70 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 823000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).