2-[(5-bromothiophen-2-yl)sulfonylamino]acetic acid

C6H6BrNO4S2 — CID 3242956

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C6H6BrNO4S2/c7-4-1-2-6(13-4)14(11,12)8-3-5(9)10/h1-2,8H,3H2,(H,9,10)
InChIKeyGJBPQYHRQFWZHL-UHFFFAOYSA-N
MW300.16 g/mol
LogP0.87
Rot. Bonds4

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

2-[(5-bromothiophen-2-yl)sulfonylamino]acetic acid (PubChem CID 3242956) has the molecular formula C6H6BrNO4S2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]acetic acid
PubChem CID3242956
Molecular FormulaC6H6BrNO4S2
Molecular Weight300.16 g/mol
Exact Mass298.89
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C6H6BrNO4S2/c7-4-1-2-6(13-4)14(11,12)8-3-5(9)10/h1-2,8H,3H2,(H,9,10)
InChIKeyGJBPQYHRQFWZHL-UHFFFAOYSA-N
XLogP0.87
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Thiophene-2-sulfonamido)acetic acid
CID 3155063
4-{[(5-Bromo-2-thienyl)sulfonyl]amino}butanoic acid
CID 1811235
2-Amino-3-(2,5-dibromothiophene-3-sulfonamido)propanoic acid
CID 137942234
N-[(5-bromothien-2-yl)sulfonyl]valine
CID 3241228
[[(5-Bromothien-2-yl)sulfonyl](methyl)amino]-acetic acid
CID 4084133
3-{[(5-Bromothien-2-YL)sulfonyl]amino}-propanoic acid
CID 4084126
2-[(5-Bromothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258817
4-[(5-Bromothiophen-2-yl)sulfonylamino]butanoate
CID 1811234
N-(5-bromothien-2-ylsulfonyl)glycine ethyl ester
CID 19681623
5-Bromo-N-(2-hydroxyethyl)-2-thiophenesulfonamide
CID 28345299
3-(2,5-Dibromothiophene-3-sulfonamido)propanoic acid
CID 43091654
5-Bromo-N-(2-hydroxy-2-methylpropyl)-2-thiophenesulfonamide
CID 59406273

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]acetic acid (CID 3242956) is 2-[(5-bromothiophen-2-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]acetic acid?
The InChIKey is GJBPQYHRQFWZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO4S2/c7-4-1-2-6(13-4)14(11,12)8-3-5(9)10/h1-2,8H,3H2,(H,9,10).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]acetic acid?
2-[(5-bromothiophen-2-yl)sulfonylamino]acetic acid has a molecular weight of 300.16 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 3242956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).