3-[(2-bromo-3-chlorophenyl)sulfamoyl-methylamino]propanoic acid

C10H12BrClN2O4S — CID 103477657

IUPAC3-[(2-bromo-3-chlorophenyl)sulfamoyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)S(=O)(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C10H12BrClN2O4S/c1-14(6-5-9(15)16)19(17,18)13-8-4-2-3-7(12)10(8)11/h2-4,13H,5-6H2,1H3,(H,15,16)
InChIKeyQOEJXWKHOIWWEX-UHFFFAOYSA-N
MW371.64 g/mol
LogP2.17
Rot. Bonds6

About 3-[(2-bromo-3-chlorophenyl)sulfamoyl-methylamino]propanoic acid

3-[(2-bromo-3-chlorophenyl)sulfamoyl-methylamino]propanoic acid (PubChem CID 103477657) has the molecular formula C10H12BrClN2O4S and a molecular weight of 371.64 g/mol. Its IUPAC name is 3-[(2-bromo-3-chlorophenyl)sulfamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-bromo-3-chlorophenyl)sulfamoyl-methylamino]propanoic acid
PubChem CID103477657
Molecular FormulaC10H12BrClN2O4S
Molecular Weight371.64 g/mol
Exact Mass369.94
IUPAC Name3-[(2-bromo-3-chlorophenyl)sulfamoyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)S(=O)(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C10H12BrClN2O4S/c1-14(6-5-9(15)16)19(17,18)13-8-4-2-3-7(12)10(8)11/h2-4,13H,5-6H2,1H3,(H,15,16)
InChIKeyQOEJXWKHOIWWEX-UHFFFAOYSA-N
XLogP2.17
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.64
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid
CID 103480815
methyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate
CID 103480162
3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl-methylamino]propanoic acid
CID 81377508
3-[[2-carboxyethyl(methyl)sulfamoyl]amino]benzoic acid
CID 84760738
methyl 3-[(4-bromo-2,3-dichlorophenyl)sulfamoyl-methylamino]propanoate
CID 107787368
3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid
CID 43699684
3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid
CID 107620926
methyl 3-[(2-bromo-4-chlorophenyl)sulfamoyl-methylamino]propanoate
CID 81264072
3-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]propanoic acid
CID 114322202
4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 103477725
5-[(2,6-dichlorophenyl)sulfonyl-methylamino]pentanoic acid
CID 58711704
2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid
CID 62535155

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-3-chlorophenyl)sulfamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[(2-bromo-3-chlorophenyl)sulfamoyl-methylamino]propanoic acid (CID 103477657) is 3-[(2-bromo-3-chlorophenyl)sulfamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[(2-bromo-3-chlorophenyl)sulfamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[(2-bromo-3-chlorophenyl)sulfamoyl-methylamino]propanoic acid is CN(CCC(=O)O)S(=O)(=O)Nc1cccc(Cl)c1Br.
What is the InChIKey of 3-[(2-bromo-3-chlorophenyl)sulfamoyl-methylamino]propanoic acid?
The InChIKey is QOEJXWKHOIWWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O4S/c1-14(6-5-9(15)16)19(17,18)13-8-4-2-3-7(12)10(8)11/h2-4,13H,5-6H2,1H3,(H,15,16).
What are the key properties of 3-[(2-bromo-3-chlorophenyl)sulfamoyl-methylamino]propanoic acid?
3-[(2-bromo-3-chlorophenyl)sulfamoyl-methylamino]propanoic acid has a molecular weight of 371.64 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-3-chlorophenyl)sulfamoyl-methylamino]propanoic acid is sourced from PubChem (CID 103477657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).