5-bromo-2-methyl-N-(pyridin-2-ylmethyl)thiophene-3-sulfonamide

C11H11BrN2O2S2 — CID 71683371

IUPAC5-bromo-2-methyl-N-(pyridin-2-ylmethyl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C11H11BrN2O2S2/c1-8-10(6-11(12)17-8)18(15,16)14-7-9-4-2-3-5-13-9/h2-6,14H,7H2,1H3
InChIKeyNZQVASNJTUMAAE-UHFFFAOYSA-N
MW347.26 g/mol
LogP2.69
Rot. Bonds4

About 5-bromo-2-methyl-N-(pyridin-2-ylmethyl)thiophene-3-sulfonamide

5-bromo-2-methyl-N-(pyridin-2-ylmethyl)thiophene-3-sulfonamide (PubChem CID 71683371) has the molecular formula C11H11BrN2O2S2 and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(pyridin-2-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(pyridin-2-ylmethyl)thiophene-3-sulfonamide
PubChem CID71683371
Molecular FormulaC11H11BrN2O2S2
Molecular Weight347.26 g/mol
Exact Mass345.94
IUPAC Name5-bromo-2-methyl-N-(pyridin-2-ylmethyl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C11H11BrN2O2S2/c1-8-10(6-11(12)17-8)18(15,16)14-7-9-4-2-3-5-13-9/h2-6,14H,7H2,1H3
InChIKeyNZQVASNJTUMAAE-UHFFFAOYSA-N
XLogP2.69
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(pyridin-2-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(pyridin-2-ylmethyl)thiophene-3-sulfonamide (CID 71683371) is 5-bromo-2-methyl-N-(pyridin-2-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(pyridin-2-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(pyridin-2-ylmethyl)thiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)NCc1ccccn1.
What is the InChIKey of 5-bromo-2-methyl-N-(pyridin-2-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is NZQVASNJTUMAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S2/c1-8-10(6-11(12)17-8)18(15,16)14-7-9-4-2-3-5-13-9/h2-6,14H,7H2,1H3.
What are the key properties of 5-bromo-2-methyl-N-(pyridin-2-ylmethyl)thiophene-3-sulfonamide?
5-bromo-2-methyl-N-(pyridin-2-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 347.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(pyridin-2-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 71683371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).