3-[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide;N-(4-dimethylphosphorylphenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-phenyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-thiophen-3-yl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine

C95H81F22N16O7P5S4 — CID 158530652

IUPAC3-[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide;N-(4-dimethylphosphorylphenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-phenyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-thiophen-3-yl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine
SMILESCP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3cccc(S(N)(=O)=O)c3)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3ccccc3)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3ccsc3)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Sc3cc(F)cc(C(F)(F)F)c3)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Sc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C20H15F7N3OPS.C20H16F6N3OPS.C19H18F3N4O3PS.C19H17F3N3OP.C17H15F3N3OPS/c1-32(2,31)14-5-3-13(4-6-14)29-18-28-10-16(20(25,26)27)17(30-18)33-15-8-11(19(22,23)24)7-12(21)9-15;1-31(2,30)14-8-6-13(7-9-14)28-18-27-11-16(20(24,25)26)17(29-18)32-15-5-3-4-12(10-15)19(21,22)23;1-30(2,27)14-8-6-13(7-9-14)25-18-24-11-16(19(20,21)22)17(26-18)12-4-3-5-15(10-12)31(23,28)29;1-27(2,26)15-10-8-14(9-11-15)24-18-23-12-16(19(20,21)22)17(25-18)13-6-4-3-5-7-13;1-25(2,24)13-5-3-12(4-6-13)22-16-21-9-14(17(18,19)20)15(23-16)11-7-8-26-10-11/h3-10H,1-2H3,(H,28,29,30);3-11H,1-2H3,(H,27,28,29);3-11H,1-2H3,(H2,23,28,29)(H,24,25,26);3-12H,1-2H3,(H,23,24,25);3-10H,1-2H3,(H,21,22,23)
InChIKeyHNHZRAFARQEQPL-UHFFFAOYSA-N
MW2259.89 g/mol
LogP27.62
Rot. Bonds23

About 3-[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide;N-(4-dimethylphosphorylphenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-phenyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-thiophen-3-yl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine

3-[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide;N-(4-dimethylphosphorylphenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-phenyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-thiophen-3-yl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine (PubChem CID 158530652) has the molecular formula C95H81F22N16O7P5S4 and a molecular weight of 2259.89 g/mol. Its IUPAC name is 3-[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide;N-(4-dimethylphosphorylphenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-phenyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-thiophen-3-yl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name3-[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide;N-(4-dimethylphosphorylphenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-phenyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-thiophen-3-yl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine
PubChem CID158530652
Molecular FormulaC95H81F22N16O7P5S4
Molecular Weight2259.89 g/mol
Exact Mass2258.37
IUPAC Name3-[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide;N-(4-dimethylphosphorylphenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-phenyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-thiophen-3-yl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine
SMILESCP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3cccc(S(N)(=O)=O)c3)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3ccccc3)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3ccsc3)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Sc3cc(F)cc(C(F)(F)F)c3)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Sc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C20H15F7N3OPS.C20H16F6N3OPS.C19H18F3N4O3PS.C19H17F3N3OP.C17H15F3N3OPS/c1-32(2,31)14-5-3-13(4-6-14)29-18-28-10-16(20(25,26)27)17(30-18)33-15-8-11(19(22,23)24)7-12(21)9-15;1-31(2,30)14-8-6-13(7-9-14)28-18-27-11-16(20(24,25)26)17(29-18)32-15-5-3-4-12(10-15)19(21,22)23;1-30(2,27)14-8-6-13(7-9-14)25-18-24-11-16(19(20,21)22)17(26-18)12-4-3-5-15(10-12)31(23,28)29;1-27(2,26)15-10-8-14(9-11-15)24-18-23-12-16(19(20,21)22)17(25-18)13-6-4-3-5-7-13;1-25(2,24)13-5-3-12(4-6-13)22-16-21-9-14(17(18,19)20)15(23-16)11-7-8-26-10-11/h3-10H,1-2H3,(H,28,29,30);3-11H,1-2H3,(H,27,28,29);3-11H,1-2H3,(H2,23,28,29)(H,24,25,26);3-12H,1-2H3,(H,23,24,25);3-10H,1-2H3,(H,21,22,23)
InChIKeyHNHZRAFARQEQPL-UHFFFAOYSA-N
XLogP27.62
TPSA334.56 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002259.89
LogP ≤ 527.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide;N-(4-dimethylphosphorylphenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-phenyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-thiophen-3-yl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine 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-dimethylphosphorylphenyl)-4-phenyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-thiophen-3-yl-5-(trifluoromethyl)pyrimidin-2-amine
CID 157967008
4-N-(1-benzylpiperidin-4-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 160595591
3-[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide;2-N-(4-dimethylphosphorylphenyl)-4-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-phenyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-thiophen-3-yl-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 161666350
2,6-difluoro-N-[2-fluoro-3-[2-(3-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(2-fluoropyrimidin-5-yl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide
CID 163695143
N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;N-[3-[5-[2-(ethylamino)pyrimidin-4-yl]-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide
CID 163750385
N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-3-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(methylamino)pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide
CID 163925794

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide;N-(4-dimethylphosphorylphenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-phenyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-thiophen-3-yl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine?
The IUPAC name of 3-[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide;N-(4-dimethylphosphorylphenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-phenyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-thiophen-3-yl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine (CID 158530652) is 3-[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide;N-(4-dimethylphosphorylphenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-phenyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-thiophen-3-yl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine.
What is the SMILES notation for 3-[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide;N-(4-dimethylphosphorylphenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-phenyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-thiophen-3-yl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine?
The canonical SMILES for 3-[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide;N-(4-dimethylphosphorylphenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-phenyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-thiophen-3-yl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine is CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3cccc(S(N)(=O)=O)c3)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3ccccc3)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3ccsc3)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Sc3cc(F)cc(C(F)(F)F)c3)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Sc3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of 3-[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide;N-(4-dimethylphosphorylphenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-phenyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-thiophen-3-yl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine?
The InChIKey is HNHZRAFARQEQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F7N3OPS.C20H16F6N3OPS.C19H18F3N4O3PS.C19H17F3N3OP.C17H15F3N3OPS/c1-32(2,31)14-5-3-13(4-6-14)29-18-28-10-16(20(25,26)27)17(30-18)33-15-8-11(19(22,23)24)7-12(21)9-15;1-31(2,30)14-8-6-13(7-9-14)28-18-27-11-16(20(24,25)26)17(29-18)32-15-5-3-4-12(10-15)19(21,22)23;1-30(2,27)14-8-6-13(7-9-14)25-18-24-11-16(19(20,21)22)17(26-18)12-4-3-5-15(10-12)31(23,28)29;1-27(2,26)15-10-8-14(9-11-15)24-18-23-12-16(19(20,21)22)17(25-18)13-6-4-3-5-7-13;1-25(2,24)13-5-3-12(4-6-13)22-16-21-9-14(17(18,19)20)15(23-16)11-7-8-26-10-11/h3-10H,1-2H3,(H,28,29,30);3-11H,1-2H3,(H,27,28,29);3-11H,1-2H3,(H2,23,28,29)(H,24,25,26);3-12H,1-2H3,(H,23,24,25);3-10H,1-2H3,(H,21,22,23).
What are the key properties of 3-[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide;N-(4-dimethylphosphorylphenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-phenyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-thiophen-3-yl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine?
3-[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide;N-(4-dimethylphosphorylphenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-phenyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-thiophen-3-yl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine has a molecular weight of 2259.89 g/mol, XLogP of 27.62, 23 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide;N-(4-dimethylphosphorylphenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-phenyl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-thiophen-3-yl-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-2-amine is sourced from PubChem (CID 158530652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).