N-(benzylsulfamoyl)-5-(4-bromophenyl)-6-chloropyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(4-chlorophenyl)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenyl-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-phenylpyrimidin-4-amine;6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine

C111H95BrCl7N27O13S6 — CID 162021022

IUPACN-(benzylsulfamoyl)-5-(4-bromophenyl)-6-chloropyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(4-chlorophenyl)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenyl-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-phenylpyrimidin-4-amine;6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine
SMILESCc1ccc(-c2c(Cl)ncnc2NS(=O)(=O)NCCc2ccccc2)cc1.O=S(=O)(NCc1ccccc1)Nc1nc(-c2ccncc2)nc(Cl)c1-c1ccc(Cl)cc1.O=S(=O)(NCc1ccccc1)Nc1nc(-c2ncccn2)nc(Cl)c1-c1ccccc1.O=S(=O)(NCc1ccccc1)Nc1ncnc(Cl)c1-c1ccc(Br)cc1.O=S(=O)(NCc1ccccc1)Nc1ncnc(Cl)c1-c1ccccc1.O=S(=O)(NCc1ccco1)Nc1ncnc(Cl)c1-c1ccccc1
InChIInChI=1S/C22H17Cl2N5O2S.C21H17ClN6O2S.C19H19ClN4O2S.C17H14BrClN4O2S.C17H15ClN4O2S.C15H13ClN4O3S/c23-18-8-6-16(7-9-18)19-20(24)27-21(17-10-12-25-13-11-17)28-22(19)29-32(30,31)26-14-15-4-2-1-3-5-15;22-18-17(16-10-5-2-6-11-16)19(27-21(26-18)20-23-12-7-13-24-20)28-31(29,30)25-14-15-8-3-1-4-9-15;1-14-7-9-16(10-8-14)17-18(20)21-13-22-19(17)24-27(25,26)23-12-11-15-5-3-2-4-6-15;18-14-8-6-13(7-9-14)15-16(19)20-11-21-17(15)23-26(24,25)22-10-12-4-2-1-3-5-12;18-16-15(14-9-5-2-6-10-14)17(20-12-19-16)22-25(23,24)21-11-13-7-3-1-4-8-13;16-14-13(11-5-2-1-3-6-11)15(18-10-17-14)20-24(21,22)19-9-12-7-4-8-23-12/h1-13,26H,14H2,(H,27,28,29);1-13,25H,14H2,(H,26,27,28);2-10,13,23H,11-12H2,1H3,(H,21,22,24);1-9,11,22H,10H2,(H,20,21,23);1-10,12,21H,11H2,(H,19,20,22);1-8,10,19H,9H2,(H,17,18,20)
InChIKeyYUTAWNYCCSEQSN-UHFFFAOYSA-N
MW2535.63 g/mol
LogP22.34
Rot. Bonds39

About N-(benzylsulfamoyl)-5-(4-bromophenyl)-6-chloropyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(4-chlorophenyl)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenyl-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-phenylpyrimidin-4-amine;6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine

N-(benzylsulfamoyl)-5-(4-bromophenyl)-6-chloropyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(4-chlorophenyl)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenyl-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-phenylpyrimidin-4-amine;6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine (PubChem CID 162021022) has the molecular formula C111H95BrCl7N27O13S6 and a molecular weight of 2535.63 g/mol. Its IUPAC name is N-(benzylsulfamoyl)-5-(4-bromophenyl)-6-chloropyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(4-chlorophenyl)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenyl-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-phenylpyrimidin-4-amine;6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(benzylsulfamoyl)-5-(4-bromophenyl)-6-chloropyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(4-chlorophenyl)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenyl-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-phenylpyrimidin-4-amine;6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine
PubChem CID162021022
Molecular FormulaC111H95BrCl7N27O13S6
Molecular Weight2535.63 g/mol
Exact Mass2529.29
IUPAC NameN-(benzylsulfamoyl)-5-(4-bromophenyl)-6-chloropyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(4-chlorophenyl)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenyl-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-phenylpyrimidin-4-amine;6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine
SMILESCc1ccc(-c2c(Cl)ncnc2NS(=O)(=O)NCCc2ccccc2)cc1.O=S(=O)(NCc1ccccc1)Nc1nc(-c2ccncc2)nc(Cl)c1-c1ccc(Cl)cc1.O=S(=O)(NCc1ccccc1)Nc1nc(-c2ncccn2)nc(Cl)c1-c1ccccc1.O=S(=O)(NCc1ccccc1)Nc1ncnc(Cl)c1-c1ccc(Br)cc1.O=S(=O)(NCc1ccccc1)Nc1ncnc(Cl)c1-c1ccccc1.O=S(=O)(NCc1ccco1)Nc1ncnc(Cl)c1-c1ccccc1
InChIInChI=1S/C22H17Cl2N5O2S.C21H17ClN6O2S.C19H19ClN4O2S.C17H14BrClN4O2S.C17H15ClN4O2S.C15H13ClN4O3S/c23-18-8-6-16(7-9-18)19-20(24)27-21(17-10-12-25-13-11-17)28-22(19)29-32(30,31)26-14-15-4-2-1-3-5-15;22-18-17(16-10-5-2-6-11-16)19(27-21(26-18)20-23-12-7-13-24-20)28-31(29,30)25-14-15-8-3-1-4-9-15;1-14-7-9-16(10-8-14)17-18(20)21-13-22-19(17)24-27(25,26)23-12-11-15-5-3-2-4-6-15;18-14-8-6-13(7-9-14)15-16(19)20-11-21-17(15)23-26(24,25)22-10-12-4-2-1-3-5-12;18-16-15(14-9-5-2-6-10-14)17(20-12-19-16)22-25(23,24)21-11-13-7-3-1-4-8-13;16-14-13(11-5-2-1-3-6-11)15(18-10-17-14)20-24(21,22)19-9-12-7-4-8-23-12/h1-13,26H,14H2,(H,27,28,29);1-13,25H,14H2,(H,26,27,28);2-10,13,23H,11-12H2,1H3,(H,21,22,24);1-9,11,22H,10H2,(H,20,21,23);1-10,12,21H,11H2,(H,19,20,22);1-8,10,19H,9H2,(H,17,18,20)
InChIKeyYUTAWNYCCSEQSN-UHFFFAOYSA-N
XLogP22.34
TPSA555.69 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds39
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002535.63
LogP ≤ 522.34
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Analyze N-(benzylsulfamoyl)-5-(4-bromophenyl)-6-chloropyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(4-chlorophenyl)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenyl-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-phenylpyrimidin-4-amine;6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine with MolForge

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Related Compounds

N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-yl-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine
CID 158473476
N-(benzylsulfamoyl)-6-chloro-5-(4-ethylphenyl)pyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(4-methylphenyl)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(4-methylphenyl)pyrimidin-4-amine;6-chloro-5-(4-chlorophenyl)-N-(furan-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(4-chlorophenyl)-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(4-methylphenyl)pyrimidin-4-amine
CID 158925138
N-(benzylsulfamoyl)-6-chloro-5-(4-ethylphenyl)pyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(4-methylphenyl)pyrimidin-4-amine;6-chloro-5-(4-chlorophenyl)-N-(furan-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(4-chlorophenyl)-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(4-methylphenyl)pyrimidin-4-amine
CID 160216572
4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine;5-(4-chlorophenyl)-N-[(4-fluorophenyl)methylsulfamoyl]-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(pyridin-4-ylmethylsulfamoyl)pyrimidin-4-amine
CID 161188418

Frequently Asked Questions

What is the IUPAC name of N-(benzylsulfamoyl)-5-(4-bromophenyl)-6-chloropyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(4-chlorophenyl)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenyl-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-phenylpyrimidin-4-amine;6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine?
The IUPAC name of N-(benzylsulfamoyl)-5-(4-bromophenyl)-6-chloropyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(4-chlorophenyl)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenyl-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-phenylpyrimidin-4-amine;6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine (CID 162021022) is N-(benzylsulfamoyl)-5-(4-bromophenyl)-6-chloropyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(4-chlorophenyl)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenyl-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-phenylpyrimidin-4-amine;6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine.
What is the SMILES notation for N-(benzylsulfamoyl)-5-(4-bromophenyl)-6-chloropyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(4-chlorophenyl)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenyl-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-phenylpyrimidin-4-amine;6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine?
The canonical SMILES for N-(benzylsulfamoyl)-5-(4-bromophenyl)-6-chloropyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(4-chlorophenyl)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenyl-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-phenylpyrimidin-4-amine;6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine is Cc1ccc(-c2c(Cl)ncnc2NS(=O)(=O)NCCc2ccccc2)cc1.O=S(=O)(NCc1ccccc1)Nc1nc(-c2ccncc2)nc(Cl)c1-c1ccc(Cl)cc1.O=S(=O)(NCc1ccccc1)Nc1nc(-c2ncccn2)nc(Cl)c1-c1ccccc1.O=S(=O)(NCc1ccccc1)Nc1ncnc(Cl)c1-c1ccc(Br)cc1.O=S(=O)(NCc1ccccc1)Nc1ncnc(Cl)c1-c1ccccc1.O=S(=O)(NCc1ccco1)Nc1ncnc(Cl)c1-c1ccccc1.
What is the InChIKey of N-(benzylsulfamoyl)-5-(4-bromophenyl)-6-chloropyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(4-chlorophenyl)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenyl-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-phenylpyrimidin-4-amine;6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine?
The InChIKey is YUTAWNYCCSEQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O2S.C21H17ClN6O2S.C19H19ClN4O2S.C17H14BrClN4O2S.C17H15ClN4O2S.C15H13ClN4O3S/c23-18-8-6-16(7-9-18)19-20(24)27-21(17-10-12-25-13-11-17)28-22(19)29-32(30,31)26-14-15-4-2-1-3-5-15;22-18-17(16-10-5-2-6-11-16)19(27-21(26-18)20-23-12-7-13-24-20)28-31(29,30)25-14-15-8-3-1-4-9-15;1-14-7-9-16(10-8-14)17-18(20)21-13-22-19(17)24-27(25,26)23-12-11-15-5-3-2-4-6-15;18-14-8-6-13(7-9-14)15-16(19)20-11-21-17(15)23-26(24,25)22-10-12-4-2-1-3-5-12;18-16-15(14-9-5-2-6-10-14)17(20-12-19-16)22-25(23,24)21-11-13-7-3-1-4-8-13;16-14-13(11-5-2-1-3-6-11)15(18-10-17-14)20-24(21,22)19-9-12-7-4-8-23-12/h1-13,26H,14H2,(H,27,28,29);1-13,25H,14H2,(H,26,27,28);2-10,13,23H,11-12H2,1H3,(H,21,22,24);1-9,11,22H,10H2,(H,20,21,23);1-10,12,21H,11H2,(H,19,20,22);1-8,10,19H,9H2,(H,17,18,20).
What are the key properties of N-(benzylsulfamoyl)-5-(4-bromophenyl)-6-chloropyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(4-chlorophenyl)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenyl-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-phenylpyrimidin-4-amine;6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine?
N-(benzylsulfamoyl)-5-(4-bromophenyl)-6-chloropyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(4-chlorophenyl)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenyl-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-phenylpyrimidin-4-amine;6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine has a molecular weight of 2535.63 g/mol, XLogP of 22.34, 39 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylsulfamoyl)-5-(4-bromophenyl)-6-chloropyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(4-chlorophenyl)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-phenyl-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-phenylpyrimidin-4-amine;6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine is sourced from PubChem (CID 162021022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).