4-bromo-N-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide

C13H19BrN4O3S — CID 38021484

IUPAC4-bromo-N-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESCC(C)(CO)N1CN=C(NS(=O)(=O)c2ccc(Br)cc2)NC1
InChIInChI=1S/C13H19BrN4O3S/c1-13(2,7-19)18-8-15-12(16-9-18)17-22(20,21)11-5-3-10(14)4-6-11/h3-6,19H,7-9H2,1-2H3,(H2,15,16,17)
InChIKeyANXYYQURNJEWHU-UHFFFAOYSA-N
MW391.29 g/mol
LogP0.67
Rot. Bonds4

About 4-bromo-N-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide

4-bromo-N-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (PubChem CID 38021484) has the molecular formula C13H19BrN4O3S and a molecular weight of 391.29 g/mol. Its IUPAC name is 4-bromo-N-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
PubChem CID38021484
Molecular FormulaC13H19BrN4O3S
Molecular Weight391.29 g/mol
Exact Mass390.04
IUPAC Name4-bromo-N-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESCC(C)(CO)N1CN=C(NS(=O)(=O)c2ccc(Br)cc2)NC1
InChIInChI=1S/C13H19BrN4O3S/c1-13(2,7-19)18-8-15-12(16-9-18)17-22(20,21)11-5-3-10(14)4-6-11/h3-6,19H,7-9H2,1-2H3,(H2,15,16,17)
InChIKeyANXYYQURNJEWHU-UHFFFAOYSA-N
XLogP0.67
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-bromo-N-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]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

N-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
CID 3450959
N-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide
CID 38021503
4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112504851
N-(3-cycloheptyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
CID 7339714
4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 7339712
4-chloro-N-[3-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 124797704
N-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 124907507
N-[3-(2,3-dimethylcyclohexyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide
CID 17336978
4-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83023481
4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65042475
2-[6-[(4-methylphenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]acetic acid;5-methyl-2-phenyl-4-[(2,4,6-tribromophenyl)iminomethyl]-1H-pyrazole-3-thione
CID 136639904
4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3716725

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (CID 38021484) is 4-bromo-N-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is CC(C)(CO)N1CN=C(NS(=O)(=O)c2ccc(Br)cc2)NC1.
What is the InChIKey of 4-bromo-N-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The InChIKey is ANXYYQURNJEWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O3S/c1-13(2,7-19)18-8-15-12(16-9-18)17-22(20,21)11-5-3-10(14)4-6-11/h3-6,19H,7-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-bromo-N-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
4-bromo-N-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide has a molecular weight of 391.29 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is sourced from PubChem (CID 38021484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).