3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid

C9H10BrNO5S — CID 66168161

IUPAC3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO5S/c10-6-1-3-7(4-2-6)17(15,16)11-5-8(12)9(13)14/h1-4,8,11-12H,5H2,(H,13,14)
InChIKeyYZUBGZPPWCSLKS-UHFFFAOYSA-N
MW324.15 g/mol
LogP0.17
Rot. Bonds5

About 3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid

3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid (PubChem CID 66168161) has the molecular formula C9H10BrNO5S and a molecular weight of 324.15 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid
PubChem CID66168161
Molecular FormulaC9H10BrNO5S
Molecular Weight324.15 g/mol
Exact Mass322.95
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO5S/c10-6-1-3-7(4-2-6)17(15,16)11-5-8(12)9(13)14/h1-4,8,11-12H,5H2,(H,13,14)
InChIKeyYZUBGZPPWCSLKS-UHFFFAOYSA-N
XLogP0.17
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-hydroxy-3-[[4-(2-methylpropoxy)phenyl]sulfonylamino]propanoic acid
CID 104935849
methyl 2-bromo-3-[(4-bromophenyl)sulfonylamino]propanoate
CID 103493729
(2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid
CID 104935920
4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907719
2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid
CID 68632814
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2-hydroxypropanoic acid
CID 66165855
4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 64996479
3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165035
3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid
CID 66166438
3-[(4-bromophenyl)sulfonylamino]-2-methylpropanethioamide
CID 62667476
2-[(4-bromophenyl)sulfonylamino]oxyacetic acid
CID 60661242
(2S)-2,6-bis[(4-bromophenyl)sulfonylamino]hexanoic acid
CID 86604364

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid (CID 66168161) is 3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid is O=C(O)C(O)CNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid?
The InChIKey is YZUBGZPPWCSLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO5S/c10-6-1-3-7(4-2-6)17(15,16)11-5-8(12)9(13)14/h1-4,8,11-12H,5H2,(H,13,14).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid?
3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid has a molecular weight of 324.15 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66168161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).