4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid

C11H13BrClNO5S — CID 103153584

IUPAC4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid
SMILESCOC(CNS(=O)(=O)c1ccc(Br)cc1Cl)CC(=O)O
InChIInChI=1S/C11H13BrClNO5S/c1-19-8(5-11(15)16)6-14-20(17,18)10-3-2-7(12)4-9(10)13/h2-4,8,14H,5-6H2,1H3,(H,15,16)
InChIKeyHYISYRJXARMLOW-UHFFFAOYSA-N
MW386.65 g/mol
LogP1.87
Rot. Bonds7

About 4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid

4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid (PubChem CID 103153584) has the molecular formula C11H13BrClNO5S and a molecular weight of 386.65 g/mol. Its IUPAC name is 4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid
PubChem CID103153584
Molecular FormulaC11H13BrClNO5S
Molecular Weight386.65 g/mol
Exact Mass384.94
IUPAC Name4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid
SMILESCOC(CNS(=O)(=O)c1ccc(Br)cc1Cl)CC(=O)O
InChIInChI=1S/C11H13BrClNO5S/c1-19-8(5-11(15)16)6-14-20(17,18)10-3-2-7(12)4-9(10)13/h2-4,8,14H,5-6H2,1H3,(H,15,16)
InChIKeyHYISYRJXARMLOW-UHFFFAOYSA-N
XLogP1.87
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.65
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide
CID 113271487
4-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-methoxybutanoic acid
CID 103153478
4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79089778
4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
CID 113318776
methyl 4-[(4-bromo-2-chlorophenyl)sulfonylamino]benzoate
CID 7938713
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide
CID 40753294
4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide
CID 114298824
methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate
CID 43405405
4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
CID 61073372
3-methoxy-4-(sulfamoylamino)butanoic acid
CID 103153567
3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide
CID 61061030
1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433200

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid?
The IUPAC name of 4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid (CID 103153584) is 4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid is COC(CNS(=O)(=O)c1ccc(Br)cc1Cl)CC(=O)O.
What is the InChIKey of 4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid?
The InChIKey is HYISYRJXARMLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO5S/c1-19-8(5-11(15)16)6-14-20(17,18)10-3-2-7(12)4-9(10)13/h2-4,8,14H,5-6H2,1H3,(H,15,16).
What are the key properties of 4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid?
4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid has a molecular weight of 386.65 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid is sourced from PubChem (CID 103153584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).