N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide

C12H10BrFN2O2S — CID 110869047

IUPACN-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cncc(Br)c1
InChIInChI=1S/C12H10BrFN2O2S/c1-8-4-10(14)2-3-12(8)19(17,18)16-11-5-9(13)6-15-7-11/h2-7,16H,1H3
InChIKeyOOANDOUFGWKTHO-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.09
Rot. Bonds3

About N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide

N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 110869047) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID110869047
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC NameN-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cncc(Br)c1
InChIInChI=1S/C12H10BrFN2O2S/c1-8-4-10(14)2-3-12(8)19(17,18)16-11-5-9(13)6-15-7-11/h2-7,16H,1H3
InChIKeyOOANDOUFGWKTHO-UHFFFAOYSA-N
XLogP3.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104826706
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562
N-(5-amino-2-bromo-4-methylphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104814659
4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723750
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
N-(2-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 103816057
4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide
CID 113009667
N-[3-(4-bromoanilino)quinoxalin-2-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 4548327
3-amino-2,4-difluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584491
4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 86796625
4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide
CID 110732621

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide (CID 110869047) is N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1cncc(Br)c1.
What is the InChIKey of N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is OOANDOUFGWKTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c1-8-4-10(14)2-3-12(8)19(17,18)16-11-5-9(13)6-15-7-11/h2-7,16H,1H3.
What are the key properties of N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide?
N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 345.19 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 110869047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).