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

C11H14BrNO6S — CID 122071461

IUPAC3-[(2-bromo-5-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCOc1ccc(Br)c(S(=O)(=O)NCC(C)(O)C(=O)O)c1
InChIInChI=1S/C11H14BrNO6S/c1-11(16,10(14)15)6-13-20(17,18)9-5-7(19-2)3-4-8(9)12/h3-5,13,16H,6H2,1-2H3,(H,14,15)
InChIKeyAFOFJOUSUBSOMA-UHFFFAOYSA-N
MW368.21 g/mol
LogP0.57
Rot. Bonds6

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

3-[(2-bromo-5-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 122071461) has the molecular formula C11H14BrNO6S and a molecular weight of 368.21 g/mol. Its IUPAC name is 3-[(2-bromo-5-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-bromo-5-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID122071461
Molecular FormulaC11H14BrNO6S
Molecular Weight368.21 g/mol
Exact Mass366.97
IUPAC Name3-[(2-bromo-5-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCOc1ccc(Br)c(S(=O)(=O)NCC(C)(O)C(=O)O)c1
InChIInChI=1S/C11H14BrNO6S/c1-11(16,10(14)15)6-13-20(17,18)9-5-7(19-2)3-4-8(9)12/h3-5,13,16H,6H2,1-2H3,(H,14,15)
InChIKeyAFOFJOUSUBSOMA-UHFFFAOYSA-N
XLogP0.57
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-bromo-5-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071549
N-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride
CID 119988224
3-[(4-bromo-3-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071466
3-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071454
3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071383
3-(2-bromo-5-methoxyanilino)-2,2-dimethylpropanoic acid
CID 79624596
3-[(2-bromo-3-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071531
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66174031
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2,5-dimethoxybenzenesulfonamide
CID 90497578
(2S)-3-[(2-bromo-4-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 146127658
2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994618
3-[(3-bromo-5-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071519

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2-bromo-5-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid (CID 122071461) is 3-[(2-bromo-5-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-bromo-5-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-bromo-5-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid is COc1ccc(Br)c(S(=O)(=O)NCC(C)(O)C(=O)O)c1.
What is the InChIKey of 3-[(2-bromo-5-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is AFOFJOUSUBSOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO6S/c1-11(16,10(14)15)6-13-20(17,18)9-5-7(19-2)3-4-8(9)12/h3-5,13,16H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-[(2-bromo-5-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
3-[(2-bromo-5-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 368.21 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 122071461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).