(2R)-2-amino-3-[(4-fluorosulfonylphenyl)methylsulfamoyl]propanoic acid

C10H13FN2O6S2 — CID 90674781

IUPAC(2R)-2-amino-3-[(4-fluorosulfonylphenyl)methylsulfamoyl]propanoic acid
SMILESN[C@@H](CS(=O)(=O)NCc1ccc(S(=O)(=O)F)cc1)C(=O)O
InChIInChI=1S/C10H13FN2O6S2/c11-21(18,19)8-3-1-7(2-4-8)5-13-20(16,17)6-9(12)10(14)15/h1-4,9,13H,5-6,12H2,(H,14,15)/t9-/m0/s1
InChIKeyFNDZSOSMRHWRGS-VIFPVBQESA-N
MW340.35 g/mol
LogP-0.82
Rot. Bonds7

About (2R)-2-amino-3-[(4-fluorosulfonylphenyl)methylsulfamoyl]propanoic acid

(2R)-2-amino-3-[(4-fluorosulfonylphenyl)methylsulfamoyl]propanoic acid (PubChem CID 90674781) has the molecular formula C10H13FN2O6S2 and a molecular weight of 340.35 g/mol. Its IUPAC name is (2R)-2-amino-3-[(4-fluorosulfonylphenyl)methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(4-fluorosulfonylphenyl)methylsulfamoyl]propanoic acid
PubChem CID90674781
Molecular FormulaC10H13FN2O6S2
Molecular Weight340.35 g/mol
Exact Mass340.02
IUPAC Name(2R)-2-amino-3-[(4-fluorosulfonylphenyl)methylsulfamoyl]propanoic acid
SMILESN[C@@H](CS(=O)(=O)NCc1ccc(S(=O)(=O)F)cc1)C(=O)O
InChIInChI=1S/C10H13FN2O6S2/c11-21(18,19)8-3-1-7(2-4-8)5-13-20(16,17)6-9(12)10(14)15/h1-4,9,13H,5-6,12H2,(H,14,15)/t9-/m0/s1
InChIKeyFNDZSOSMRHWRGS-VIFPVBQESA-N
XLogP-0.82
TPSA143.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(4-fluorosulfonylphenyl)methylsulfamoyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[(4-fluorosulfonylphenyl)methylsulfamoyl]propanoic acid (CID 90674781) is (2R)-2-amino-3-[(4-fluorosulfonylphenyl)methylsulfamoyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(4-fluorosulfonylphenyl)methylsulfamoyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(4-fluorosulfonylphenyl)methylsulfamoyl]propanoic acid is N[C@@H](CS(=O)(=O)NCc1ccc(S(=O)(=O)F)cc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[(4-fluorosulfonylphenyl)methylsulfamoyl]propanoic acid?
The InChIKey is FNDZSOSMRHWRGS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13FN2O6S2/c11-21(18,19)8-3-1-7(2-4-8)5-13-20(16,17)6-9(12)10(14)15/h1-4,9,13H,5-6,12H2,(H,14,15)/t9-/m0/s1.
What are the key properties of (2R)-2-amino-3-[(4-fluorosulfonylphenyl)methylsulfamoyl]propanoic acid?
(2R)-2-amino-3-[(4-fluorosulfonylphenyl)methylsulfamoyl]propanoic acid has a molecular weight of 340.35 g/mol, XLogP of -0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(4-fluorosulfonylphenyl)methylsulfamoyl]propanoic acid is sourced from PubChem (CID 90674781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).