N-(5-bromo-2-pyridinyl)-1-(3-fluorophenyl)methanesulfonamide

C12H10BrFN2O2S — CID 71920939

IUPACN-(5-bromo-2-pyridinyl)-1-(3-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)Nc1ccc(Br)cn1
InChIInChI=1S/C12H10BrFN2O2S/c13-10-4-5-12(15-7-10)16-19(17,18)8-9-2-1-3-11(14)6-9/h1-7H,8H2,(H,15,16)
InChIKeyZXPQLARWQYLZPC-UHFFFAOYSA-N
MW345.19 g/mol
LogP2.93
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-1-(3-fluorophenyl)methanesulfonamide

N-(5-bromo-2-pyridinyl)-1-(3-fluorophenyl)methanesulfonamide (PubChem CID 71920939) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(3-fluorophenyl)methanesulfonamide
PubChem CID71920939
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(3-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)Nc1ccc(Br)cn1
InChIInChI=1S/C12H10BrFN2O2S/c13-10-4-5-12(15-7-10)16-19(17,18)8-9-2-1-3-11(14)6-9/h1-7H,8H2,(H,15,16)
InChIKeyZXPQLARWQYLZPC-UHFFFAOYSA-N
XLogP2.93
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-2-pyridinyl)-1-(3-fluorophenyl)methanesulfonamide 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

1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide
CID 43256634
N-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide
CID 115274084
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 84593439
5-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine
CID 114815452
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-phenylmethanesulfonamide
CID 22205547
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973006
1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide
CID 106070788
N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 56513002
1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 106087470
4-bromo-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 3811085
N-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106020720

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(3-fluorophenyl)methanesulfonamide (CID 71920939) is N-(5-bromo-2-pyridinyl)-1-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(3-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1cccc(F)c1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(3-fluorophenyl)methanesulfonamide?
The InChIKey is ZXPQLARWQYLZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c13-10-4-5-12(15-7-10)16-19(17,18)8-9-2-1-3-11(14)6-9/h1-7H,8H2,(H,15,16).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(3-fluorophenyl)methanesulfonamide?
N-(5-bromo-2-pyridinyl)-1-(3-fluorophenyl)methanesulfonamide has a molecular weight of 345.19 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 71920939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).