4,5-dibromothiophene-2-sulfonamide

C4H3Br2NO2S2 — CID 2805145

IUPAC4,5-dibromothiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C4H3Br2NO2S2/c5-2-1-3(10-4(2)6)11(7,8)9/h1H,(H2,7,8,9)
InChIKeyXBUBKAHZGMXJBC-UHFFFAOYSA-N
MW321.02 g/mol
LogP1.92
Rot. Bonds1

About 4,5-dibromothiophene-2-sulfonamide

4,5-dibromothiophene-2-sulfonamide (PubChem CID 2805145) has the molecular formula C4H3Br2NO2S2 and a molecular weight of 321.02 g/mol. Its IUPAC name is 4,5-dibromothiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dibromothiophene-2-sulfonamide
PubChem CID2805145
Molecular FormulaC4H3Br2NO2S2
Molecular Weight321.02 g/mol
Exact Mass318.80
IUPAC Name4,5-dibromothiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C4H3Br2NO2S2/c5-2-1-3(10-4(2)6)11(7,8)9/h1H,(H2,7,8,9)
InChIKeyXBUBKAHZGMXJBC-UHFFFAOYSA-N
XLogP1.92
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.02
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

calcium bis(4,5-dibromothiophene-2-sulfonate)
CID 87784725
4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-sulfonamide
CID 74225965
5-methylthiophene-2,4-disulfonamide
CID 600438
5-bromo-4-methylthiophene-2-sulfonyl bromide
CID 130493587
4,5-dibromo-N-(3-chlorophenyl)thiophene-2-sulfonamide
CID 3830186
4,5-dibromo-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide
CID 3794260
1-(4,5-dibromothiophen-2-yl)sulfonyl-4-propylpiperazin-4-ium
CID 4076965
(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055149
ethyl 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]hexanoate
CID 3860859
4,5-dibromo-N-(2-hydroxy-2-phenylethyl)thiophene-2-sulfonamide
CID 3566476
1-(2-chlorophenyl)-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazine
CID 3587621
4,7-dihydroxy-1-benzothiophene-2-sulfonamide
CID 21283475

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromothiophene-2-sulfonamide?
The IUPAC name of 4,5-dibromothiophene-2-sulfonamide (CID 2805145) is 4,5-dibromothiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dibromothiophene-2-sulfonamide?
The canonical SMILES for 4,5-dibromothiophene-2-sulfonamide is NS(=O)(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromothiophene-2-sulfonamide?
The InChIKey is XBUBKAHZGMXJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Br2NO2S2/c5-2-1-3(10-4(2)6)11(7,8)9/h1H,(H2,7,8,9).
What are the key properties of 4,5-dibromothiophene-2-sulfonamide?
4,5-dibromothiophene-2-sulfonamide has a molecular weight of 321.02 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromothiophene-2-sulfonamide is sourced from PubChem (CID 2805145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).