N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide

C18H16FN3O3S — CID 108783145

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide
SMILESCc1cc(C)nc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)n1
InChIInChI=1S/C18H16FN3O3S/c1-12-11-13(2)21-18(20-12)25-16-7-5-15(6-8-16)22-26(23,24)17-9-3-14(19)4-10-17/h3-11,22H,1-2H3
InChIKeyZRBUHDMFZSYIJV-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.83
Rot. Bonds5

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide (PubChem CID 108783145) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide
PubChem CID108783145
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide
SMILESCc1cc(C)nc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)n1
InChIInChI=1S/C18H16FN3O3S/c1-12-11-13(2)21-18(20-12)25-16-7-5-15(6-8-16)22-26(23,24)17-9-3-14(19)4-10-17/h3-11,22H,1-2H3
InChIKeyZRBUHDMFZSYIJV-UHFFFAOYSA-N
XLogP3.83
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide 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-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide
CID 108783146
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide
CID 169370934
4-fluoro-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27505841
4-fluoro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312331
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide
CID 108742551
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
4-fluoro-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]benzenesulfonamide
CID 53125745
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 1377807

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide (CID 108783145) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide is Cc1cc(C)nc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide?
The InChIKey is ZRBUHDMFZSYIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-12-11-13(2)21-18(20-12)25-16-7-5-15(6-8-16)22-26(23,24)17-9-3-14(19)4-10-17/h3-11,22H,1-2H3.
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide has a molecular weight of 373.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 108783145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).