2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)acetic acid

C11H13NO4S — CID 22441688

IUPAC2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)C1Cc2ccccc2C1
InChIInChI=1S/C11H13NO4S/c13-11(14)7-12-17(15,16)10-5-8-3-1-2-4-9(8)6-10/h1-4,10,12H,5-7H2,(H,13,14)
InChIKeyZPLWYXHIWZZOQT-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.16
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)acetic acid

2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)acetic acid (PubChem CID 22441688) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)acetic acid
PubChem CID22441688
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)C1Cc2ccccc2C1
InChIInChI=1S/C11H13NO4S/c13-11(14)7-12-17(15,16)10-5-8-3-1-2-4-9(8)6-10/h1-4,10,12H,5-7H2,(H,13,14)
InChIKeyZPLWYXHIWZZOQT-UHFFFAOYSA-N
XLogP0.16
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)acetic acid?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)acetic acid (CID 22441688) is 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)acetic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)acetic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)acetic acid is O=C(O)CNS(=O)(=O)C1Cc2ccccc2C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)acetic acid?
The InChIKey is ZPLWYXHIWZZOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c13-11(14)7-12-17(15,16)10-5-8-3-1-2-4-9(8)6-10/h1-4,10,12H,5-7H2,(H,13,14).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)acetic acid?
2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)acetic acid has a molecular weight of 255.29 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)acetic acid is sourced from PubChem (CID 22441688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).