(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid

C8H9BrClNO4S2 — CID 80577604

IUPAC(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid
SMILESCC[C@@H](NS(=O)(=O)c1cc(Cl)c(Br)s1)C(=O)O
InChIInChI=1S/C8H9BrClNO4S2/c1-2-5(8(12)13)11-17(14,15)6-3-4(10)7(9)16-6/h3,5,11H,2H2,1H3,(H,12,13)/t5-/m1/s1
InChIKeyXANPSAAQXYYAOK-RXMQYKEDSA-N
MW362.65 g/mol
LogP2.31
Rot. Bonds5

About (2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid

(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid (PubChem CID 80577604) has the molecular formula C8H9BrClNO4S2 and a molecular weight of 362.65 g/mol. Its IUPAC name is (2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid
PubChem CID80577604
Molecular FormulaC8H9BrClNO4S2
Molecular Weight362.65 g/mol
Exact Mass360.88
IUPAC Name(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid
SMILESCC[C@@H](NS(=O)(=O)c1cc(Cl)c(Br)s1)C(=O)O
InChIInChI=1S/C8H9BrClNO4S2/c1-2-5(8(12)13)11-17(14,15)6-3-4(10)7(9)16-6/h3,5,11H,2H2,1H3,(H,12,13)/t5-/m1/s1
InChIKeyXANPSAAQXYYAOK-RXMQYKEDSA-N
XLogP2.31
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.65
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid
CID 80577574
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoic acid
CID 80577603
5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 80580103
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 80577203
5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide
CID 80577968
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 79989177
(2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid
CID 106605478
(2S)-2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 79987764
2-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 80577423
N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577776
N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide
CID 80580140
(2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 104934085

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid?
The IUPAC name of (2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid (CID 80577604) is (2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid?
The canonical SMILES for (2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid is CC[C@@H](NS(=O)(=O)c1cc(Cl)c(Br)s1)C(=O)O.
What is the InChIKey of (2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid?
The InChIKey is XANPSAAQXYYAOK-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9BrClNO4S2/c1-2-5(8(12)13)11-17(14,15)6-3-4(10)7(9)16-6/h3,5,11H,2H2,1H3,(H,12,13)/t5-/m1/s1.
What are the key properties of (2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid?
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid has a molecular weight of 362.65 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 80577604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).