5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide

C9H8BrN3O2S2 — CID 104856695

IUPAC5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C9H8BrN3O2S2/c1-6-8(2-9(10)16-6)17(14,15)13-7-3-11-5-12-4-7/h2-5,13H,1H3
InChIKeyUAKLRTOSZOFKOL-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.41
Rot. Bonds3

About 5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide

5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide (PubChem CID 104856695) has the molecular formula C9H8BrN3O2S2 and a molecular weight of 334.22 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
PubChem CID104856695
Molecular FormulaC9H8BrN3O2S2
Molecular Weight334.22 g/mol
Exact Mass332.92
IUPAC Name5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C9H8BrN3O2S2/c1-6-8(2-9(10)16-6)17(14,15)13-7-3-11-5-12-4-7/h2-5,13H,1H3
InChIKeyUAKLRTOSZOFKOL-UHFFFAOYSA-N
XLogP2.41
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088723
5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide
CID 107577586
5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 71972231
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 115687613
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-N-(2,6-difluoro-3-methylphenyl)-2-methylthiophene-3-sulfonamide
CID 82819513
5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylthiophene-3-sulfonamide
CID 106831927
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide
CID 75356482
2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)thiophene-3-sulfonamide
CID 106087977
2,5-dimethyl-N-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-sulfonamide
CID 126833361
2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587465

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide (CID 104856695) is 5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)Nc1cncnc1.
What is the InChIKey of 5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide?
The InChIKey is UAKLRTOSZOFKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2S2/c1-6-8(2-9(10)16-6)17(14,15)13-7-3-11-5-12-4-7/h2-5,13H,1H3.
What are the key properties of 5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide?
5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide has a molecular weight of 334.22 g/mol, XLogP of 2.41, 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-pyrimidin-5-ylthiophene-3-sulfonamide is sourced from PubChem (CID 104856695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).