2-(benzylsulfonylamino)propanoic acid

C10H13NO4S — CID 4083565

IUPAC2-(benzylsulfonylamino)propanoic acid
SMILESCC(NS(=O)(=O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO4S/c1-8(10(12)13)11-16(14,15)7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)
InChIKeyCZIBABWRWDOXIT-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.58
Rot. Bonds5

About 2-(benzylsulfonylamino)propanoic acid

2-(benzylsulfonylamino)propanoic acid (PubChem CID 4083565) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-(benzylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-(benzylsulfonylamino)propanoic acid
PubChem CID4083565
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-(benzylsulfonylamino)propanoic acid
SMILESCC(NS(=O)(=O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO4S/c1-8(10(12)13)11-16(14,15)7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)
InChIKeyCZIBABWRWDOXIT-UHFFFAOYSA-N
XLogP0.58
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylsulfonylamino)propanoic acid?
The IUPAC name of 2-(benzylsulfonylamino)propanoic acid (CID 4083565) is 2-(benzylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-(benzylsulfonylamino)propanoic acid?
The canonical SMILES for 2-(benzylsulfonylamino)propanoic acid is CC(NS(=O)(=O)Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-(benzylsulfonylamino)propanoic acid?
The InChIKey is CZIBABWRWDOXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-8(10(12)13)11-16(14,15)7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13).
What are the key properties of 2-(benzylsulfonylamino)propanoic acid?
2-(benzylsulfonylamino)propanoic acid has a molecular weight of 243.28 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylsulfonylamino)propanoic acid is sourced from PubChem (CID 4083565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).