4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(5-fluoro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide

C118H120Cl9F2N27O12S6 — CID 159279675

About 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(5-fluoro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide

4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(5-fluoro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide (PubChem CID 159279675) has the molecular formula C118H120Cl9F2N27O12S6 and a molecular weight of 2657.91 g/mol. Its IUPAC name is 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(5-fluoro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(5-fluoro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide
• PubChem CID: 159279675
• Molecular Formula: C118H120Cl9F2N27O12S6
• Molecular Weight: 2657.91 g/mol
• Exact Mass: 2651.51
• IUPAC Name: 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(5-fluoro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide
• SMILES: Cc1c(-c2cc(CCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)cc(Cl)c(Cl)c1Cl.Cc1c(-c2cc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)cc(Cl)c(Cl)c1Cl.Cc1c(Cl)cc(Cl)cc1-c1cc(CCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.Cc1cc(Cl)cc(-c2cc(CCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)c1F.Cc1ccc(C)c(-c2cc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)c1.Cc1ccc(F)cc1-c1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1
• InChI: InChI=1S/C20H19Cl3N4O2S.C20H20Cl2N4O2S.C20H20ClFN4O2S.C20H23N5O2S.C19H18Cl3N5O2S.C19H20FN5O2S/c1-11-15(10-16(21)19(23)18(11)22)17-9-13(26-20(24)27-17)4-2-3-12-5-7-14(8-6-12)30(25,28)29;1-12-17(9-14(21)10-18(12)22)19-11-15(25-20(23)26-19)4-2-3-13-5-7-16(8-6-13)29(24,27)28;1-12-9-14(21)10-17(19(12)22)18-11-15(25-20(23)26-18)4-2-3-13-5-7-16(8-6-13)29(24,27)28;1-13-3-4-14(2)17(11-13)18-12-19(25-20(21)24-18)23-10-9-15-5-7-16(8-6-15)28(22,26)27;1-10-13(8-14(20)18(22)17(10)21)15-9-16(27-19(23)26-15)25-7-6-11-2-4-12(5-3-11)30(24,28)29;1-12-2-5-14(20)10-16(12)17-11-18(25-19(21)24-17)23-9-8-13-3-6-15(7-4-13)28(22,26)27/h5-10H,2-4H2,1H3,(H2,24,26,27)(H2,25,28,29);2*5-11H,2-4H2,1H3,(H2,23,25,26)(H2,24,27,28);3-8,11-12H,9-10H2,1-2H3,(H2,22,26,27)(H3,21,23,24,25);2-5,8-9H,6-7H2,1H3,(H2,24,28,29)(H3,23,25,26,27);2-7,10-11H,8-9H2,1H3,(H2,22,26,27)(H3,21,23,24,25)
• InChIKey: KYTIAUIDBMBZLY-UHFFFAOYSA-N
• XLogP: 22.05
• TPSA: 707.85 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 33
• Rotatable Bonds: 36
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2657.91
LogP ≤ 5	22.05
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(5-fluoro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide?

The IUPAC name of 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(5-fluoro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide (CID 159279675) is 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(5-fluoro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide.

What is the SMILES notation for 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(5-fluoro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide?

The canonical SMILES for 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(5-fluoro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide is Cc1c(-c2cc(CCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)cc(Cl)c(Cl)c1Cl.Cc1c(-c2cc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)cc(Cl)c(Cl)c1Cl.Cc1c(Cl)cc(Cl)cc1-c1cc(CCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.Cc1cc(Cl)cc(-c2cc(CCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)c1F.Cc1ccc(C)c(-c2cc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)c1.Cc1ccc(F)cc1-c1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.

What is the InChIKey of 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(5-fluoro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide?

The InChIKey is KYTIAUIDBMBZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl3N4O2S.C20H20Cl2N4O2S.C20H20ClFN4O2S.C20H23N5O2S.C19H18Cl3N5O2S.C19H20FN5O2S/c1-11-15(10-16(21)19(23)18(11)22)17-9-13(26-20(24)27-17)4-2-3-12-5-7-14(8-6-12)30(25,28)29;1-12-17(9-14(21)10-18(12)22)19-11-15(25-20(23)26-19)4-2-3-13-5-7-16(8-6-13)29(24,27)28;1-12-9-14(21)10-17(19(12)22)18-11-15(25-20(23)26-18)4-2-3-13-5-7-16(8-6-13)29(24,27)28;1-13-3-4-14(2)17(11-13)18-12-19(25-20(21)24-18)23-10-9-15-5-7-16(8-6-15)28(22,26)27;1-10-13(8-14(20)18(22)17(10)21)15-9-16(27-19(23)26-15)25-7-6-11-2-4-12(5-3-11)30(24,28)29;1-12-2-5-14(20)10-16(12)17-11-18(25-19(21)24-17)23-9-8-13-3-6-15(7-4-13)28(22,26)27/h5-10H,2-4H2,1H3,(H2,24,26,27)(H2,25,28,29);2*5-11H,2-4H2,1H3,(H2,23,25,26)(H2,24,27,28);3-8,11-12H,9-10H2,1-2H3,(H2,22,26,27)(H3,21,23,24,25);2-5,8-9H,6-7H2,1H3,(H2,24,28,29)(H3,23,25,26,27);2-7,10-11H,8-9H2,1H3,(H2,22,26,27)(H3,21,23,24,25).

What are the key properties of 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(5-fluoro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide?

4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(5-fluoro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide has a molecular weight of 2657.91 g/mol, XLogP of 22.05, 36 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(5-fluoro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 159279675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).