N-(4-bromo-2-pyridinyl)-N,5-dimethylfuran-2-sulfonamide

C11H11BrN2O3S — CID 115274334

IUPACN-(4-bromo-2-pyridinyl)-N,5-dimethylfuran-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cc(Br)ccn2)o1
InChIInChI=1S/C11H11BrN2O3S/c1-8-3-4-11(17-8)18(15,16)14(2)10-7-9(12)5-6-13-10/h3-7H,1-2H3
InChIKeyOZGRPKXTPSRARI-UHFFFAOYSA-N
MW331.19 g/mol
LogP2.57
Rot. Bonds3

About N-(4-bromo-2-pyridinyl)-N,5-dimethylfuran-2-sulfonamide

N-(4-bromo-2-pyridinyl)-N,5-dimethylfuran-2-sulfonamide (PubChem CID 115274334) has the molecular formula C11H11BrN2O3S and a molecular weight of 331.19 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-N,5-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-N,5-dimethylfuran-2-sulfonamide
PubChem CID115274334
Molecular FormulaC11H11BrN2O3S
Molecular Weight331.19 g/mol
Exact Mass329.97
IUPAC NameN-(4-bromo-2-pyridinyl)-N,5-dimethylfuran-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cc(Br)ccn2)o1
InChIInChI=1S/C11H11BrN2O3S/c1-8-3-4-11(17-8)18(15,16)14(2)10-7-9(12)5-6-13-10/h3-7H,1-2H3
InChIKeyOZGRPKXTPSRARI-UHFFFAOYSA-N
XLogP2.57
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-2-pyridinyl)-N,5-dimethylfuran-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-N,5-dimethylfuran-2-sulfonamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-N,5-dimethylfuran-2-sulfonamide (CID 115274334) is N-(4-bromo-2-pyridinyl)-N,5-dimethylfuran-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-N,5-dimethylfuran-2-sulfonamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-N,5-dimethylfuran-2-sulfonamide is Cc1ccc(S(=O)(=O)N(C)c2cc(Br)ccn2)o1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-N,5-dimethylfuran-2-sulfonamide?
The InChIKey is OZGRPKXTPSRARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3S/c1-8-3-4-11(17-8)18(15,16)14(2)10-7-9(12)5-6-13-10/h3-7H,1-2H3.
What are the key properties of N-(4-bromo-2-pyridinyl)-N,5-dimethylfuran-2-sulfonamide?
N-(4-bromo-2-pyridinyl)-N,5-dimethylfuran-2-sulfonamide has a molecular weight of 331.19 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-N,5-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 115274334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).