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

C14H15BrFN3O2S — CID 154860347

IUPAC6-[(3-bromo-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCc2ccc(F)c(Br)c2)nc1
InChIInChI=1S/C14H15BrFN3O2S/c1-19(2)22(20,21)11-4-6-14(18-9-11)17-8-10-3-5-13(16)12(15)7-10/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyREXSOUQKKHCLRD-UHFFFAOYSA-N
MW388.26 g/mol
LogP2.85
Rot. Bonds5

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

6-[(3-bromo-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 154860347) has the molecular formula C14H15BrFN3O2S and a molecular weight of 388.26 g/mol. Its IUPAC name is 6-[(3-bromo-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(3-bromo-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID154860347
Molecular FormulaC14H15BrFN3O2S
Molecular Weight388.26 g/mol
Exact Mass387.01
IUPAC Name6-[(3-bromo-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCc2ccc(F)c(Br)c2)nc1
InChIInChI=1S/C14H15BrFN3O2S/c1-19(2)22(20,21)11-4-6-14(18-9-11)17-8-10-3-5-13(16)12(15)7-10/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyREXSOUQKKHCLRD-UHFFFAOYSA-N
XLogP2.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(3-bromo-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-sulfonamide 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,N-dimethyl-6-(pyridin-4-ylmethylamino)pyridine-3-sulfonamide
CID 104999383
6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133304263
N,N-dimethyl-6-(prop-2-ynylamino)pyridine-3-sulfonamide
CID 103340991
6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113227585
N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-sulfonamide
CID 103341074
N,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide
CID 107143521
N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 104781528
N,N-dimethyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-sulfonamide
CID 103703160
N-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide
CID 112806919
6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid
CID 103340909

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[(3-bromo-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-sulfonamide (CID 154860347) is 6-[(3-bromo-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(3-bromo-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(3-bromo-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(NCc2ccc(F)c(Br)c2)nc1.
What is the InChIKey of 6-[(3-bromo-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is REXSOUQKKHCLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O2S/c1-19(2)22(20,21)11-4-6-14(18-9-11)17-8-10-3-5-13(16)12(15)7-10/h3-7,9H,8H2,1-2H3,(H,17,18).
What are the key properties of 6-[(3-bromo-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-sulfonamide?
6-[(3-bromo-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 388.26 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 154860347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).