3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid

C11H14BrNO4S — CID 81371671

IUPAC3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid
SMILESC[C@@H](NS(=O)(=O)CCC(=O)O)c1cccc(Br)c1
InChIInChI=1S/C11H14BrNO4S/c1-8(9-3-2-4-10(12)7-9)13-18(16,17)6-5-11(14)15/h2-4,7-8,13H,5-6H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyLFALQNURVGBNJU-MRVPVSSYSA-N
MW336.21 g/mol
LogP1.90
Rot. Bonds6

About 3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid

3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid (PubChem CID 81371671) has the molecular formula C11H14BrNO4S and a molecular weight of 336.21 g/mol. Its IUPAC name is 3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid
PubChem CID81371671
Molecular FormulaC11H14BrNO4S
Molecular Weight336.21 g/mol
Exact Mass334.98
IUPAC Name3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid
SMILESC[C@@H](NS(=O)(=O)CCC(=O)O)c1cccc(Br)c1
InChIInChI=1S/C11H14BrNO4S/c1-8(9-3-2-4-10(12)7-9)13-18(16,17)6-5-11(14)15/h2-4,7-8,13H,5-6H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyLFALQNURVGBNJU-MRVPVSSYSA-N
XLogP1.90
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]butanoic acid
CID 81371590
2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid
CID 81371672
N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide
CID 107858584
N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide
CID 107858585
N-[1-(3-bromophenyl)ethyl]-2-(cyclopropylamino)ethanesulfonamide
CID 106002819
4-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanoic acid
CID 81382738
3-[1-(3-bromophenyl)ethylcarbamoylamino]propanoic acid
CID 54967412
3-[1-(3-bromophenyl)ethyl-propan-2-ylamino]propanoic acid
CID 65056761
3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid
CID 43535671
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513401
3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 43361900
5-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid
CID 81370759

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid?
The IUPAC name of 3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid (CID 81371671) is 3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid?
The canonical SMILES for 3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid is C[C@@H](NS(=O)(=O)CCC(=O)O)c1cccc(Br)c1.
What is the InChIKey of 3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid?
The InChIKey is LFALQNURVGBNJU-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14BrNO4S/c1-8(9-3-2-4-10(12)7-9)13-18(16,17)6-5-11(14)15/h2-4,7-8,13H,5-6H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of 3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid?
3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid has a molecular weight of 336.21 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 81371671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).