2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide

C13H12BrFN2O2S — CID 47305613

IUPAC2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc(F)cc2Br)n1
InChIInChI=1S/C13H12BrFN2O2S/c1-9-3-2-4-11(17-9)8-16-20(18,19)13-6-5-10(15)7-12(13)14/h2-7,16H,8H2,1H3
InChIKeyHKJKFUHIKTXIPE-UHFFFAOYSA-N
MW359.22 g/mol
LogP2.77
Rot. Bonds4

About 2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide

2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide (PubChem CID 47305613) has the molecular formula C13H12BrFN2O2S and a molecular weight of 359.22 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
PubChem CID47305613
Molecular FormulaC13H12BrFN2O2S
Molecular Weight359.22 g/mol
Exact Mass357.98
IUPAC Name2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc(F)cc2Br)n1
InChIInChI=1S/C13H12BrFN2O2S/c1-9-3-2-4-11(17-9)8-16-20(18,19)13-6-5-10(15)7-12(13)14/h2-7,16H,8H2,1H3
InChIKeyHKJKFUHIKTXIPE-UHFFFAOYSA-N
XLogP2.77
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide 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

2-bromo-4-fluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47264299
5-amino-2-fluoro-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 80628498
2-bromo-4-fluoro-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 63308971
4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 106996904
5-bromo-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide
CID 62308940
2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 60823464
2-bromo-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61022422
5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
CID 61059094
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 62309272
4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 139174842
2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 61059679
2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide (CID 47305613) is 2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide is Cc1cccc(CNS(=O)(=O)c2ccc(F)cc2Br)n1.
What is the InChIKey of 2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is HKJKFUHIKTXIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2S/c1-9-3-2-4-11(17-9)8-16-20(18,19)13-6-5-10(15)7-12(13)14/h2-7,16H,8H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 359.22 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 47305613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).