4-bromo-2-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

C12H10BrFN2O3S — CID 53364626

IUPAC4-bromo-2-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cn1
InChIInChI=1S/C12H10BrFN2O3S/c1-19-12-5-3-9(7-15-12)16-20(17,18)11-4-2-8(13)6-10(11)14/h2-7,16H,1H3
InChIKeyHOTCKRFOOPLARB-UHFFFAOYSA-N
MW361.19 g/mol
LogP2.79
Rot. Bonds4

About 4-bromo-2-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

4-bromo-2-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (PubChem CID 53364626) has the molecular formula C12H10BrFN2O3S and a molecular weight of 361.19 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
PubChem CID53364626
Molecular FormulaC12H10BrFN2O3S
Molecular Weight361.19 g/mol
Exact Mass359.96
IUPAC Name4-bromo-2-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cn1
InChIInChI=1S/C12H10BrFN2O3S/c1-19-12-5-3-9(7-15-12)16-20(17,18)11-4-2-8(13)6-10(11)14/h2-7,16H,1H3
InChIKeyHOTCKRFOOPLARB-UHFFFAOYSA-N
XLogP2.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide 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 4-bromo-2-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (CID 53364626) is 4-bromo-2-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cn1.
What is the InChIKey of 4-bromo-2-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is HOTCKRFOOPLARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O3S/c1-19-12-5-3-9(7-15-12)16-20(17,18)11-4-2-8(13)6-10(11)14/h2-7,16H,1H3.
What are the key properties of 4-bromo-2-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
4-bromo-2-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide has a molecular weight of 361.19 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 53364626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).