(2S,3R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxybutanoic acid

C8H9Br2NO5S2 — CID 104935243

IUPAC(2S,3R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NS(=O)(=O)c1cc(Br)sc1Br)C(=O)O
InChIInChI=1S/C8H9Br2NO5S2/c1-3(12)6(8(13)14)11-18(15,16)4-2-5(9)17-7(4)10/h2-3,6,11-12H,1H3,(H,13,14)/t3-,6+/m1/s1
InChIKeyUAVPXCMMRTZVST-CVYQJGLWSA-N
MW423.10 g/mol
LogP1.39
Rot. Bonds5

About (2S,3R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxybutanoic acid

(2S,3R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxybutanoic acid (PubChem CID 104935243) has the molecular formula C8H9Br2NO5S2 and a molecular weight of 423.10 g/mol. Its IUPAC name is (2S,3R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxybutanoic acid
PubChem CID104935243
Molecular FormulaC8H9Br2NO5S2
Molecular Weight423.10 g/mol
Exact Mass420.83
IUPAC Name(2S,3R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NS(=O)(=O)c1cc(Br)sc1Br)C(=O)O
InChIInChI=1S/C8H9Br2NO5S2/c1-3(12)6(8(13)14)11-18(15,16)4-2-5(9)17-7(4)10/h2-3,6,11-12H,1H3,(H,13,14)/t3-,6+/m1/s1
InChIKeyUAVPXCMMRTZVST-CVYQJGLWSA-N
XLogP1.39
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.10
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 43238236
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 43084117
(2S)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methoxy-4-oxobutanoic acid
CID 61141773
methyl 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxypropanoate
CID 43624311
(2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 28828747
(2S,3R)-2-[(3-bromophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 28828771
(2S,3R)-2-[(2,5-dimethylphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 14100896
5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82683979
(2R)-2-[(4-bromothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid
CID 136584791
(2S,3S)-2-(1,3-benzothiazol-4-ylsulfonylamino)-3-hydroxybutanoic acid
CID 139014227
3-[[(1R,2S)-1-carboxy-2-hydroxypropyl]sulfamoyl]-4-chlorobenzoic acid
CID 7745996
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 114517798

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxybutanoic acid (CID 104935243) is (2S,3R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxybutanoic acid is C[C@@H](O)[C@H](NS(=O)(=O)c1cc(Br)sc1Br)C(=O)O.
What is the InChIKey of (2S,3R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxybutanoic acid?
The InChIKey is UAVPXCMMRTZVST-CVYQJGLWSA-N. The full InChI is InChI=1S/C8H9Br2NO5S2/c1-3(12)6(8(13)14)11-18(15,16)4-2-5(9)17-7(4)10/h2-3,6,11-12H,1H3,(H,13,14)/t3-,6+/m1/s1.
What are the key properties of (2S,3R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxybutanoic acid?
(2S,3R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxybutanoic acid has a molecular weight of 423.10 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 104935243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).