5-bromothiophene-2-sulfonic acid;2-methylprop-2-enamide

C8H10BrNO4S2 — CID 175452289

IUPAC5-bromothiophene-2-sulfonic acid;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.O=S(=O)(O)c1ccc(Br)s1
InChIInChI=1S/C4H3BrO3S2.C4H7NO/c5-3-1-2-4(9-3)10(6,7)8;1-3(2)4(5)6/h1-2H,(H,6,7,8);1H2,2H3,(H2,5,6)
InChIKeyZDPIZYVFKQWPLS-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.81
Rot. Bonds2

About 5-bromothiophene-2-sulfonic acid;2-methylprop-2-enamide

5-bromothiophene-2-sulfonic acid;2-methylprop-2-enamide (PubChem CID 175452289) has the molecular formula C8H10BrNO4S2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 5-bromothiophene-2-sulfonic acid;2-methylprop-2-enamide.

Molecular Properties

Compound Name5-bromothiophene-2-sulfonic acid;2-methylprop-2-enamide
PubChem CID175452289
Molecular FormulaC8H10BrNO4S2
Molecular Weight328.21 g/mol
Exact Mass326.92
IUPAC Name5-bromothiophene-2-sulfonic acid;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.O=S(=O)(O)c1ccc(Br)s1
InChIInChI=1S/C4H3BrO3S2.C4H7NO/c5-3-1-2-4(9-3)10(6,7)8;1-3(2)4(5)6/h1-2H,(H,6,7,8);1H2,2H3,(H2,5,6)
InChIKeyZDPIZYVFKQWPLS-UHFFFAOYSA-N
XLogP1.81
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonylpropan-2-one
CID 28753742
2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide
CID 61392292
(5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid
CID 67189352
(4-carbamoylphenyl) 5-bromothiophene-2-sulfonate
CID 26945610
(4-acetylphenyl) 5-bromothiophene-2-sulfonate
CID 26946052
1-(5-bromothiophen-2-yl)sulfonylcyclopropane-1-carboxylic acid
CID 117032269
2-methylprop-2-enamide;hydrate
CID 88749193
3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
CID 18084682
1-(5-bromothiophen-2-yl)sulfonylcyclopropan-1-amine
CID 117037932
5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide
CID 65110898
3-[(5-bromothiophen-2-yl)sulfonylamino]-2,2,3-trimethylbutanoic acid
CID 65266493
methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetate
CID 3675533

Frequently Asked Questions

What is the IUPAC name of 5-bromothiophene-2-sulfonic acid;2-methylprop-2-enamide?
The IUPAC name of 5-bromothiophene-2-sulfonic acid;2-methylprop-2-enamide (CID 175452289) is 5-bromothiophene-2-sulfonic acid;2-methylprop-2-enamide.
What is the SMILES notation for 5-bromothiophene-2-sulfonic acid;2-methylprop-2-enamide?
The canonical SMILES for 5-bromothiophene-2-sulfonic acid;2-methylprop-2-enamide is C=C(C)C(N)=O.O=S(=O)(O)c1ccc(Br)s1.
What is the InChIKey of 5-bromothiophene-2-sulfonic acid;2-methylprop-2-enamide?
The InChIKey is ZDPIZYVFKQWPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrO3S2.C4H7NO/c5-3-1-2-4(9-3)10(6,7)8;1-3(2)4(5)6/h1-2H,(H,6,7,8);1H2,2H3,(H2,5,6).
What are the key properties of 5-bromothiophene-2-sulfonic acid;2-methylprop-2-enamide?
5-bromothiophene-2-sulfonic acid;2-methylprop-2-enamide has a molecular weight of 328.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromothiophene-2-sulfonic acid;2-methylprop-2-enamide is sourced from PubChem (CID 175452289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).