4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine

C133H139BrCl6N36O27S10 — CID 158019192

About 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine

4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine (PubChem CID 158019192) has the molecular formula C133H139BrCl6N36O27S10 and a molecular weight of 3287.09 g/mol. Its IUPAC name is 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine
• PubChem CID: 158019192
• Molecular Formula: C133H139BrCl6N36O27S10
• Molecular Weight: 3287.09 g/mol
• Exact Mass: 3280.51
• IUPAC Name: 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine
• SMILES: CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(OC)cn2)c1-c1ccc(Cl)cc1.COc1cnc(OCCOc2ncnc(NS(=O)(=O)NC3CCCC3)c2-c2ccc(Cl)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)N(C)Cc3ccccc3)c2-c2ccc(Cl)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3ccco3)c2-c2ccc(Cl)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3cccs3)c2-c2ccc(Cl)cc2)nc1.O=S(=O)(Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Cl)cc1)NC1CCCC1
• InChI: InChI=1S/C25H25ClN6O4S2.C22H21ClN6O5S2.C22H25ClN6O5S.C22H21ClN6O4S3.C21H22BrClN6O4S.C21H25ClN6O5S/c1-32(16-18-6-4-3-5-7-18)38(33,34)31-23-22(19-8-10-20(26)11-9-19)24(30-17-29-23)35-12-13-36-25-27-14-21(37-2)15-28-25;1-35-18-12-24-22(25-13-18)34-10-9-33-21-19(15-4-6-16(23)7-5-15)20(26-14-27-21)29-36(30,31)28-11-17-3-2-8-32-17;1-32-18-12-24-22(25-13-18)34-11-10-33-21-19(15-6-8-16(23)9-7-15)20(26-14-27-21)29-35(30,31)28-17-4-2-3-5-17;1-34-18-11-24-22(25-12-18)33-9-8-32-21-19(15-4-6-16(23)7-5-15)20(26-14-27-21)29-36(30,31)28-13-17-3-2-10-35-17;22-15-11-24-21(25-12-15)33-10-9-32-20-18(14-5-7-16(23)8-6-14)19(26-13-27-20)29-34(30,31)28-17-3-1-2-4-17;1-3-4-9-27-34(29,30)28-19-18(15-5-7-16(22)8-6-15)20(26-14-25-19)32-10-11-33-21-23-12-17(31-2)13-24-21/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,29,30,31);2-8,12-14,28H,9-11H2,1H3,(H,26,27,29);6-9,12-14,17,28H,2-5,10-11H2,1H3,(H,26,27,29);2-7,10-12,14,28H,8-9,13H2,1H3,(H,26,27,29);5-8,11-13,17,28H,1-4,9-10H2,(H,26,27,29);5-8,12-14,27H,3-4,9-11H2,1-2H3,(H,25,26,28)
• InChIKey: FFVWURNMXLNDPG-UHFFFAOYSA-N
• XLogP: 22.97
• TPSA: 792.13 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 55
• Rotatable Bonds: 70
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3287.09
LogP ≤ 5	22.97
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine?

The IUPAC name of 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine (CID 158019192) is 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine.

What is the SMILES notation for 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine?

The canonical SMILES for 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine is CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(OC)cn2)c1-c1ccc(Cl)cc1.COc1cnc(OCCOc2ncnc(NS(=O)(=O)NC3CCCC3)c2-c2ccc(Cl)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)N(C)Cc3ccccc3)c2-c2ccc(Cl)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3ccco3)c2-c2ccc(Cl)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3cccs3)c2-c2ccc(Cl)cc2)nc1.O=S(=O)(Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Cl)cc1)NC1CCCC1.

What is the InChIKey of 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine?

The InChIKey is FFVWURNMXLNDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O4S2.C22H21ClN6O5S2.C22H25ClN6O5S.C22H21ClN6O4S3.C21H22BrClN6O4S.C21H25ClN6O5S/c1-32(16-18-6-4-3-5-7-18)38(33,34)31-23-22(19-8-10-20(26)11-9-19)24(30-17-29-23)35-12-13-36-25-27-14-21(37-2)15-28-25;1-35-18-12-24-22(25-13-18)34-10-9-33-21-19(15-4-6-16(23)7-5-15)20(26-14-27-21)29-36(30,31)28-11-17-3-2-8-32-17;1-32-18-12-24-22(25-13-18)34-11-10-33-21-19(15-6-8-16(23)9-7-15)20(26-14-27-21)29-35(30,31)28-17-4-2-3-5-17;1-34-18-11-24-22(25-12-18)33-9-8-32-21-19(15-4-6-16(23)7-5-15)20(26-14-27-21)29-36(30,31)28-13-17-3-2-10-35-17;22-15-11-24-21(25-12-15)33-10-9-32-20-18(14-5-7-16(23)8-6-14)19(26-13-27-20)29-34(30,31)28-17-3-1-2-4-17;1-3-4-9-27-34(29,30)28-19-18(15-5-7-16(22)8-6-15)20(26-14-25-19)32-10-11-33-21-23-12-17(31-2)13-24-21/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,29,30,31);2-8,12-14,28H,9-11H2,1H3,(H,26,27,29);6-9,12-14,17,28H,2-5,10-11H2,1H3,(H,26,27,29);2-7,10-12,14,28H,8-9,13H2,1H3,(H,26,27,29);5-8,11-13,17,28H,1-4,9-10H2,(H,26,27,29);5-8,12-14,27H,3-4,9-11H2,1-2H3,(H,25,26,28).

What are the key properties of 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine?

4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine has a molecular weight of 3287.09 g/mol, XLogP of 22.97, 70 rotatable bonds, 11 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine is sourced from PubChem (CID 158019192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).