3-bromo-N-(6-cyclopropyl-2-pyridinyl)furan-2-sulfonamide

C12H11BrN2O3S — CID 146141219

IUPAC3-bromo-N-(6-cyclopropyl-2-pyridinyl)furan-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(C2CC2)n1)c1occc1Br
InChIInChI=1S/C12H11BrN2O3S/c13-9-6-7-18-12(9)19(16,17)15-11-3-1-2-10(14-11)8-4-5-8/h1-3,6-8H,4-5H2,(H,14,15)
InChIKeyALERTJIVZJYQSH-UHFFFAOYSA-N
MW343.20 g/mol
LogP3.12
Rot. Bonds4

About 3-bromo-N-(6-cyclopropyl-2-pyridinyl)furan-2-sulfonamide

3-bromo-N-(6-cyclopropyl-2-pyridinyl)furan-2-sulfonamide (PubChem CID 146141219) has the molecular formula C12H11BrN2O3S and a molecular weight of 343.20 g/mol. Its IUPAC name is 3-bromo-N-(6-cyclopropyl-2-pyridinyl)furan-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(6-cyclopropyl-2-pyridinyl)furan-2-sulfonamide
PubChem CID146141219
Molecular FormulaC12H11BrN2O3S
Molecular Weight343.20 g/mol
Exact Mass341.97
IUPAC Name3-bromo-N-(6-cyclopropyl-2-pyridinyl)furan-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(C2CC2)n1)c1occc1Br
InChIInChI=1S/C12H11BrN2O3S/c13-9-6-7-18-12(9)19(16,17)15-11-3-1-2-10(14-11)8-4-5-8/h1-3,6-8H,4-5H2,(H,14,15)
InChIKeyALERTJIVZJYQSH-UHFFFAOYSA-N
XLogP3.12
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(6-cyclopropyl-2-pyridinyl)furan-2-sulfonamide?
The IUPAC name of 3-bromo-N-(6-cyclopropyl-2-pyridinyl)furan-2-sulfonamide (CID 146141219) is 3-bromo-N-(6-cyclopropyl-2-pyridinyl)furan-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(6-cyclopropyl-2-pyridinyl)furan-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(6-cyclopropyl-2-pyridinyl)furan-2-sulfonamide is O=S(=O)(Nc1cccc(C2CC2)n1)c1occc1Br.
What is the InChIKey of 3-bromo-N-(6-cyclopropyl-2-pyridinyl)furan-2-sulfonamide?
The InChIKey is ALERTJIVZJYQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S/c13-9-6-7-18-12(9)19(16,17)15-11-3-1-2-10(14-11)8-4-5-8/h1-3,6-8H,4-5H2,(H,14,15).
What are the key properties of 3-bromo-N-(6-cyclopropyl-2-pyridinyl)furan-2-sulfonamide?
3-bromo-N-(6-cyclopropyl-2-pyridinyl)furan-2-sulfonamide has a molecular weight of 343.20 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(6-cyclopropyl-2-pyridinyl)furan-2-sulfonamide is sourced from PubChem (CID 146141219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).