N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide

C19H13F3N4O2S — CID 121024186

IUPACN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13F3N4O2S/c20-19(21,22)14-5-2-7-16(11-14)29(27,28)25-15-6-1-4-13(10-15)17-12-26-9-3-8-23-18(26)24-17/h1-12,25H
InChIKeyRLKNPUWHQOBZBZ-UHFFFAOYSA-N
MW418.40 g/mol
LogP4.22
Rot. Bonds4

About N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide

N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 121024186) has the molecular formula C19H13F3N4O2S and a molecular weight of 418.40 g/mol. Its IUPAC name is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID121024186
Molecular FormulaC19H13F3N4O2S
Molecular Weight418.40 g/mol
Exact Mass418.07
IUPAC NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13F3N4O2S/c20-19(21,22)14-5-2-7-16(11-14)29(27,28)25-15-6-1-4-13(10-15)17-12-26-9-3-8-23-18(26)24-17/h1-12,25H
InChIKeyRLKNPUWHQOBZBZ-UHFFFAOYSA-N
XLogP4.22
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)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-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 121024207
3-chloro-4-fluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285186
2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285192
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-nitrobenzenesulfonamide
CID 2981233
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122285176
2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285241
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide
CID 122285184
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 122285205
1-(2-fluorophenyl)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
CID 122285217
1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121033146
2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyrimidine
CID 938226
3-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide
CID 121024205

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 121024186) is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RLKNPUWHQOBZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O2S/c20-19(21,22)14-5-2-7-16(11-14)29(27,28)25-15-6-1-4-13(10-15)17-12-26-9-3-8-23-18(26)24-17/h1-12,25H.
What are the key properties of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 418.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 121024186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).