2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid

C8H10BrNO5S2 — CID 61244964

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H10BrNO5S2/c9-6-1-2-7(16-6)17(14,15)10-5(3-4-11)8(12)13/h1-2,5,10-11H,3-4H2,(H,12,13)
InChIKeyJEEVOSNNAPSGIZ-UHFFFAOYSA-N
MW344.21 g/mol
LogP0.62
Rot. Bonds6

About 2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid

2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid (PubChem CID 61244964) has the molecular formula C8H10BrNO5S2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
PubChem CID61244964
Molecular FormulaC8H10BrNO5S2
Molecular Weight344.21 g/mol
Exact Mass342.92
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H10BrNO5S2/c9-6-1-2-7(16-6)17(14,15)10-5(3-4-11)8(12)13/h1-2,5,10-11H,3-4H2,(H,12,13)
InChIKeyJEEVOSNNAPSGIZ-UHFFFAOYSA-N
XLogP0.62
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43235784
(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104935678
2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 54947368
5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide
CID 65314645
(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 113353088
(2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935022
(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751001
(2S)-2-[(5-bromothiophene-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 107822531
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
2-[(5-bromothiophen-2-yl)sulfonylamino]-3-(2,5,6,7-tetrahydroxy-1H-indol-3-yl)propanoic acid
CID 90821298
2-[(2,5-dibromophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244954
(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide
CID 8802651

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid (CID 61244964) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid is O=C(O)C(CCO)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid?
The InChIKey is JEEVOSNNAPSGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO5S2/c9-6-1-2-7(16-6)17(14,15)10-5(3-4-11)8(12)13/h1-2,5,10-11H,3-4H2,(H,12,13).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid?
2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid has a molecular weight of 344.21 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61244964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).