3-[(2-bromo-5-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid

C10H11BrClNO5S — CID 122071549

IUPAC3-[(2-bromo-5-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNS(=O)(=O)c1cc(Cl)ccc1Br)C(=O)O
InChIInChI=1S/C10H11BrClNO5S/c1-10(16,9(14)15)5-13-19(17,18)8-4-6(12)2-3-7(8)11/h2-4,13,16H,5H2,1H3,(H,14,15)
InChIKeyMQHJWVYPIPMNJR-UHFFFAOYSA-N
MW372.62 g/mol
LogP1.22
Rot. Bonds5

About 3-[(2-bromo-5-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid

3-[(2-bromo-5-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 122071549) has the molecular formula C10H11BrClNO5S and a molecular weight of 372.62 g/mol. Its IUPAC name is 3-[(2-bromo-5-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-bromo-5-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID122071549
Molecular FormulaC10H11BrClNO5S
Molecular Weight372.62 g/mol
Exact Mass370.92
IUPAC Name3-[(2-bromo-5-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNS(=O)(=O)c1cc(Cl)ccc1Br)C(=O)O
InChIInChI=1S/C10H11BrClNO5S/c1-10(16,9(14)15)5-13-19(17,18)8-4-6(12)2-3-7(8)11/h2-4,13,16H,5H2,1H3,(H,14,15)
InChIKeyMQHJWVYPIPMNJR-UHFFFAOYSA-N
XLogP1.22
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173227
3-[(2-bromo-5-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071461
3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071383
3-[(2-bromo-3-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071531
3-[(4-bromo-3-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071466
N-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide
CID 120706161
3-[(2,5-difluoro-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071452
3-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071454
2-[[(5-chloro-2-methylphenyl)sulfonylamino]methyl]-2-ethylbutanoic acid
CID 115429946
3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643930
2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide
CID 66170118
2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825163

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2-bromo-5-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid (CID 122071549) is 3-[(2-bromo-5-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-bromo-5-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-bromo-5-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNS(=O)(=O)c1cc(Cl)ccc1Br)C(=O)O.
What is the InChIKey of 3-[(2-bromo-5-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is MQHJWVYPIPMNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO5S/c1-10(16,9(14)15)5-13-19(17,18)8-4-6(12)2-3-7(8)11/h2-4,13,16H,5H2,1H3,(H,14,15).
What are the key properties of 3-[(2-bromo-5-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
3-[(2-bromo-5-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 372.62 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 122071549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).