5-bromo-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide

C10H9BrN2O2S2 — CID 894180

IUPAC5-bromo-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C10H9BrN2O2S2/c1-7-3-2-4-9(12-7)13-17(14,15)10-6-5-8(11)16-10/h2-6H,1H3,(H,12,13)
InChIKeyBFWMRZYVKTWFDR-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.01
Rot. Bonds3

About 5-bromo-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide

5-bromo-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide (PubChem CID 894180) has the molecular formula C10H9BrN2O2S2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 5-bromo-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide
PubChem CID894180
Molecular FormulaC10H9BrN2O2S2
Molecular Weight333.23 g/mol
Exact Mass331.93
IUPAC Name5-bromo-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C10H9BrN2O2S2/c1-7-3-2-4-9(12-7)13-17(14,15)10-6-5-8(11)16-10/h2-6H,1H3,(H,12,13)
InChIKeyBFWMRZYVKTWFDR-UHFFFAOYSA-N
XLogP3.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide (CID 894180) is 5-bromo-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(Br)s2)n1.
What is the InChIKey of 5-bromo-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide?
The InChIKey is BFWMRZYVKTWFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S2/c1-7-3-2-4-9(12-7)13-17(14,15)10-6-5-8(11)16-10/h2-6H,1H3,(H,12,13).
What are the key properties of 5-bromo-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide?
5-bromo-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide has a molecular weight of 333.23 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide is sourced from PubChem (CID 894180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).