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

C11H15FN2O6S2 — CID 98535121

IUPAC(2R)-2-amino-4-[(4-fluorosulfonylphenyl)methylsulfamoyl]butanoic acid
SMILESN[C@H](CCS(=O)(=O)NCc1ccc(S(=O)(=O)F)cc1)C(=O)O
InChIInChI=1S/C11H15FN2O6S2/c12-22(19,20)9-3-1-8(2-4-9)7-14-21(17,18)6-5-10(13)11(15)16/h1-4,10,14H,5-7,13H2,(H,15,16)/t10-/m1/s1
InChIKeyLYGNYXLBCRSFFX-SNVBAGLBSA-N
MW354.38 g/mol
LogP-0.43
Rot. Bonds8

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

(2R)-2-amino-4-[(4-fluorosulfonylphenyl)methylsulfamoyl]butanoic acid (PubChem CID 98535121) has the molecular formula C11H15FN2O6S2 and a molecular weight of 354.38 g/mol. Its IUPAC name is (2R)-2-amino-4-[(4-fluorosulfonylphenyl)methylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-[(4-fluorosulfonylphenyl)methylsulfamoyl]butanoic acid
PubChem CID98535121
Molecular FormulaC11H15FN2O6S2
Molecular Weight354.38 g/mol
Exact Mass354.04
IUPAC Name(2R)-2-amino-4-[(4-fluorosulfonylphenyl)methylsulfamoyl]butanoic acid
SMILESN[C@H](CCS(=O)(=O)NCc1ccc(S(=O)(=O)F)cc1)C(=O)O
InChIInChI=1S/C11H15FN2O6S2/c12-22(19,20)9-3-1-8(2-4-9)7-14-21(17,18)6-5-10(13)11(15)16/h1-4,10,14H,5-7,13H2,(H,15,16)/t10-/m1/s1
InChIKeyLYGNYXLBCRSFFX-SNVBAGLBSA-N
XLogP-0.43
TPSA143.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-methylbutane-1-sulfonamide
CID 51108789
2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride
CID 155943355
(2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid
CID 67154285
4-(anilinomethyl)benzenesulfonyl fluoride
CID 154447253
N-[(4-methylsulfonylphenyl)methyl]propane-1-sulfonamide
CID 47387345
methyl 3-[(4-aminophenyl)methylsulfamoyl]propanoate
CID 54952544
4-[(3-aminopropylsulfonylamino)methyl]benzenesulfonamide
CID 60910335
(2S)-2-amino-3-[4-(fluoromethylsulfonyl)phenyl]propanoic acid
CID 70366843
2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid
CID 81091134
2-amino-3-[4-(hydrazinylmethyl)phenyl]propanoic acid
CID 23653351
4-[(4-methylphenyl)methylsulfamoyl]butanoic acid
CID 28513518
methyl 3-[[4-(hydroxymethyl)phenyl]methylsulfamoyl]propanoate
CID 107232004

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-[(4-fluorosulfonylphenyl)methylsulfamoyl]butanoic acid?
The IUPAC name of (2R)-2-amino-4-[(4-fluorosulfonylphenyl)methylsulfamoyl]butanoic acid (CID 98535121) is (2R)-2-amino-4-[(4-fluorosulfonylphenyl)methylsulfamoyl]butanoic acid.
What is the SMILES notation for (2R)-2-amino-4-[(4-fluorosulfonylphenyl)methylsulfamoyl]butanoic acid?
The canonical SMILES for (2R)-2-amino-4-[(4-fluorosulfonylphenyl)methylsulfamoyl]butanoic acid is N[C@H](CCS(=O)(=O)NCc1ccc(S(=O)(=O)F)cc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-[(4-fluorosulfonylphenyl)methylsulfamoyl]butanoic acid?
The InChIKey is LYGNYXLBCRSFFX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15FN2O6S2/c12-22(19,20)9-3-1-8(2-4-9)7-14-21(17,18)6-5-10(13)11(15)16/h1-4,10,14H,5-7,13H2,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-4-[(4-fluorosulfonylphenyl)methylsulfamoyl]butanoic acid?
(2R)-2-amino-4-[(4-fluorosulfonylphenyl)methylsulfamoyl]butanoic acid has a molecular weight of 354.38 g/mol, XLogP of -0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-[(4-fluorosulfonylphenyl)methylsulfamoyl]butanoic acid is sourced from PubChem (CID 98535121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).