5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide

C8H7BrN2O2S3 — CID 71972231

IUPAC5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C8H7BrN2O2S3/c1-5-6(4-7(9)15-5)16(12,13)11-8-10-2-3-14-8/h2-4H,1H3,(H,10,11)
InChIKeyMBBHORWYAHVYFE-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.08
Rot. Bonds3

About 5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide

5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide (PubChem CID 71972231) has the molecular formula C8H7BrN2O2S3 and a molecular weight of 339.26 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
PubChem CID71972231
Molecular FormulaC8H7BrN2O2S3
Molecular Weight339.26 g/mol
Exact Mass337.89
IUPAC Name5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C8H7BrN2O2S3/c1-5-6(4-7(9)15-5)16(12,13)11-8-10-2-3-14-8/h2-4H,1H3,(H,10,11)
InChIKeyMBBHORWYAHVYFE-UHFFFAOYSA-N
XLogP3.08
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106031780
5-bromo-N-(4-bromo-2-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 102671870
5-bromo-N-(2-bromo-3-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 103816032
5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 104856695
4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25138353
2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256872
2-(methylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 55044038
5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide
CID 107577586
N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide
CID 146763683
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106031935
5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 43323216

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide (CID 71972231) is 5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)Nc1nccs1.
What is the InChIKey of 5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The InChIKey is MBBHORWYAHVYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2S3/c1-5-6(4-7(9)15-5)16(12,13)11-8-10-2-3-14-8/h2-4H,1H3,(H,10,11).
What are the key properties of 5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide?
5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide has a molecular weight of 339.26 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 71972231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).