6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide

C13H13BrFN3O2S — CID 133304263

IUPAC6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccc(Br)c(F)c2)nc1
InChIInChI=1S/C13H13BrFN3O2S/c1-16-21(19,20)10-3-5-13(18-8-10)17-7-9-2-4-11(14)12(15)6-9/h2-6,8,16H,7H2,1H3,(H,17,18)
InChIKeyGZIJATUTADDNDF-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.50
Rot. Bonds5

About 6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide

6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide (PubChem CID 133304263) has the molecular formula C13H13BrFN3O2S and a molecular weight of 374.24 g/mol. Its IUPAC name is 6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide
PubChem CID133304263
Molecular FormulaC13H13BrFN3O2S
Molecular Weight374.24 g/mol
Exact Mass372.99
IUPAC Name6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccc(Br)c(F)c2)nc1
InChIInChI=1S/C13H13BrFN3O2S/c1-16-21(19,20)10-3-5-13(18-8-10)17-7-9-2-4-11(14)12(15)6-9/h2-6,8,16H,7H2,1H3,(H,17,18)
InChIKeyGZIJATUTADDNDF-UHFFFAOYSA-N
XLogP2.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-(naphthalen-2-ylmethylamino)pyridine-3-sulfonamide
CID 133299071
6-[(3-bromo-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 154860347
N-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide
CID 112806919
6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133304167
6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133346456
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
N-[(4-bromo-3-fluorophenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133342970
6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133342969
N-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide
CID 133298461
N-[(4-bromo-3-fluorophenyl)methyl]-4-ethylsulfonylaniline
CID 79671646
2-methyl-N-[3-[[[5-(methylsulfamoyl)-2-pyridinyl]amino]methyl]phenyl]butanamide
CID 133297158
N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 55680935

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide (CID 133304263) is 6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(NCc2ccc(Br)c(F)c2)nc1.
What is the InChIKey of 6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide?
The InChIKey is GZIJATUTADDNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O2S/c1-16-21(19,20)10-3-5-13(18-8-10)17-7-9-2-4-11(14)12(15)6-9/h2-6,8,16H,7H2,1H3,(H,17,18).
What are the key properties of 6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide?
6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide has a molecular weight of 374.24 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 133304263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).