N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide

C9H6BrClN2O2S2 — CID 6466988

IUPACN-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cn1)c1ccc(Cl)s1
InChIInChI=1S/C9H6BrClN2O2S2/c10-6-1-3-8(12-5-6)13-17(14,15)9-4-2-7(11)16-9/h1-5H,(H,12,13)
InChIKeyMYONEIYBQBNONJ-UHFFFAOYSA-N
MW353.65 g/mol
LogP3.36
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide

N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide (PubChem CID 6466988) has the molecular formula C9H6BrClN2O2S2 and a molecular weight of 353.65 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide
PubChem CID6466988
Molecular FormulaC9H6BrClN2O2S2
Molecular Weight353.65 g/mol
Exact Mass351.87
IUPAC NameN-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cn1)c1ccc(Cl)s1
InChIInChI=1S/C9H6BrClN2O2S2/c10-6-1-3-8(12-5-6)13-17(14,15)9-4-2-7(11)16-9/h1-5H,(H,12,13)
InChIKeyMYONEIYBQBNONJ-UHFFFAOYSA-N
XLogP3.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide (CID 6466988) is N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide is O=S(=O)(Nc1ccc(Br)cn1)c1ccc(Cl)s1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide?
The InChIKey is MYONEIYBQBNONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O2S2/c10-6-1-3-8(12-5-6)13-17(14,15)9-4-2-7(11)16-9/h1-5H,(H,12,13).
What are the key properties of N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide?
N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide has a molecular weight of 353.65 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 6466988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).