5-bromo-2-methoxy-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide

C11H11BrN2O3S2 — CID 67982677

IUPAC5-bromo-2-methoxy-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
SMILESCOc1ncc(Br)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C11H11BrN2O3S2/c1-17-11-10(5-8(12)6-13-11)19(15,16)14-7-9-3-2-4-18-9/h2-6,14H,7H2,1H3
InChIKeyVIUKUQRXXFUDFA-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.39
Rot. Bonds5

About 5-bromo-2-methoxy-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide

5-bromo-2-methoxy-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide (PubChem CID 67982677) has the molecular formula C11H11BrN2O3S2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
PubChem CID67982677
Molecular FormulaC11H11BrN2O3S2
Molecular Weight363.26 g/mol
Exact Mass361.94
IUPAC Name5-bromo-2-methoxy-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
SMILESCOc1ncc(Br)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C11H11BrN2O3S2/c1-17-11-10(5-8(12)6-13-11)19(15,16)14-7-9-3-2-4-18-9/h2-6,14H,7H2,1H3
InChIKeyVIUKUQRXXFUDFA-UHFFFAOYSA-N
XLogP2.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide (CID 67982677) is 5-bromo-2-methoxy-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide is COc1ncc(Br)cc1S(=O)(=O)NCc1cccs1.
What is the InChIKey of 5-bromo-2-methoxy-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is VIUKUQRXXFUDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3S2/c1-17-11-10(5-8(12)6-13-11)19(15,16)14-7-9-3-2-4-18-9/h2-6,14H,7H2,1H3.
What are the key properties of 5-bromo-2-methoxy-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide?
5-bromo-2-methoxy-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 363.26 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 67982677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).