3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid

C8H10BrNO5S2 — CID 79987643

IUPAC3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid
SMILESCc1cc(S(=O)(=O)NCC(O)C(=O)O)sc1Br
InChIInChI=1S/C8H10BrNO5S2/c1-4-2-6(16-7(4)9)17(14,15)10-3-5(11)8(12)13/h2,5,10-11H,3H2,1H3,(H,12,13)
InChIKeyHGSXYBRVJSDVHL-UHFFFAOYSA-N
MW344.21 g/mol
LogP0.54
Rot. Bonds5

About 3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid

3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid (PubChem CID 79987643) has the molecular formula C8H10BrNO5S2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid
PubChem CID79987643
Molecular FormulaC8H10BrNO5S2
Molecular Weight344.21 g/mol
Exact Mass342.92
IUPAC Name3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid
SMILESCc1cc(S(=O)(=O)NCC(O)C(=O)O)sc1Br
InChIInChI=1S/C8H10BrNO5S2/c1-4-2-6(16-7(4)9)17(14,15)10-3-5(11)8(12)13/h2,5,10-11H,3H2,1H3,(H,12,13)
InChIKeyHGSXYBRVJSDVHL-UHFFFAOYSA-N
XLogP0.54
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 104936210
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methoxypropanoic acid
CID 104936772
5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide
CID 107158081
5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide
CID 79987385
5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 79925416
5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide
CID 114295146
(2S)-2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 79987764
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 79989177
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279836
(2R)-2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]hexanedioic acid
CID 107266594
5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79925847
5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119972955

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid (CID 79987643) is 3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid is Cc1cc(S(=O)(=O)NCC(O)C(=O)O)sc1Br.
What is the InChIKey of 3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid?
The InChIKey is HGSXYBRVJSDVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO5S2/c1-4-2-6(16-7(4)9)17(14,15)10-3-5(11)8(12)13/h2,5,10-11H,3H2,1H3,(H,12,13).
What are the key properties of 3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid?
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid has a molecular weight of 344.21 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 79987643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).