N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine

C112H110Cl7N33O24S6 — CID 158263083

IUPACN-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine
SMILESCCCCNS(=O)(=O)Nc1nc(-c2ncccn2)nc(Cl)c1Oc1ccccc1OC.CCN(CC)S(=O)(=O)Nc1nc(-c2ncccn2)nc(Cl)c1Oc1ccccc1OC.CCNS(=O)(=O)Nc1nc(-c2ncccn2)nc(Cl)c1Oc1ccccc1OC.COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)NCc1ccc(Cl)cc1.COc1ccccc1Oc1c(Cl)ncnc1NS(=O)(=O)NCc1ccccc1.COc1ccccc1Oc1c(Cl)ncnc1NS(=O)(=O)NCc1ccccn1
InChIInChI=1S/C22H18Cl2N6O4S.2C19H21ClN6O4S.C18H17ClN4O4S.C17H17ClN6O4S.C17H16ClN5O4S/c1-33-16-5-2-3-6-17(16)34-18-19(24)28-22(21-25-11-4-12-26-21)29-20(18)30-35(31,32)27-13-14-7-9-15(23)10-8-14;1-4-26(5-2)31(27,28)25-17-15(30-14-10-7-6-9-13(14)29-3)16(20)23-19(24-17)18-21-11-8-12-22-18;1-3-4-12-23-31(27,28)26-17-15(30-14-9-6-5-8-13(14)29-2)16(20)24-19(25-17)18-21-10-7-11-22-18;1-26-14-9-5-6-10-15(14)27-16-17(19)20-12-21-18(16)23-28(24,25)22-11-13-7-3-2-4-8-13;1-3-21-29(25,26)24-15-13(28-12-8-5-4-7-11(12)27-2)14(18)22-17(23-15)16-19-9-6-10-20-16;1-26-13-7-2-3-8-14(13)27-15-16(18)20-11-21-17(15)23-28(24,25)22-10-12-6-4-5-9-19-12/h2-12,27H,13H2,1H3,(H,28,29,30);6-12H,4-5H2,1-3H3,(H,23,24,25);5-11,23H,3-4,12H2,1-2H3,(H,24,25,26);2-10,12,22H,11H2,1H3,(H,20,21,23);4-10,21H,3H2,1-2H3,(H,22,23,24);2-9,11,22H,10H2,1H3,(H,20,21,23)
InChIKeyGICOSBYUTSJZCO-UHFFFAOYSA-N
MW2742.89 g/mol
LogP20.11
Rot. Bonds52

About N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine

N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine (PubChem CID 158263083) has the molecular formula C112H110Cl7N33O24S6 and a molecular weight of 2742.89 g/mol. Its IUPAC name is N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine
PubChem CID158263083
Molecular FormulaC112H110Cl7N33O24S6
Molecular Weight2742.89 g/mol
Exact Mass2737.45
IUPAC NameN-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine
SMILESCCCCNS(=O)(=O)Nc1nc(-c2ncccn2)nc(Cl)c1Oc1ccccc1OC.CCN(CC)S(=O)(=O)Nc1nc(-c2ncccn2)nc(Cl)c1Oc1ccccc1OC.CCNS(=O)(=O)Nc1nc(-c2ncccn2)nc(Cl)c1Oc1ccccc1OC.COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)NCc1ccc(Cl)cc1.COc1ccccc1Oc1c(Cl)ncnc1NS(=O)(=O)NCc1ccccc1.COc1ccccc1Oc1c(Cl)ncnc1NS(=O)(=O)NCc1ccccn1
InChIInChI=1S/C22H18Cl2N6O4S.2C19H21ClN6O4S.C18H17ClN4O4S.C17H17ClN6O4S.C17H16ClN5O4S/c1-33-16-5-2-3-6-17(16)34-18-19(24)28-22(21-25-11-4-12-26-21)29-20(18)30-35(31,32)27-13-14-7-9-15(23)10-8-14;1-4-26(5-2)31(27,28)25-17-15(30-14-10-7-6-9-13(14)29-3)16(20)23-19(24-17)18-21-11-8-12-22-18;1-3-4-12-23-31(27,28)26-17-15(30-14-9-6-5-8-13(14)29-2)16(20)24-19(25-17)18-21-10-7-11-22-18;1-26-14-9-5-6-10-15(14)27-16-17(19)20-12-21-18(16)23-28(24,25)22-11-13-7-3-2-4-8-13;1-3-21-29(25,26)24-15-13(28-12-8-5-4-7-11(12)27-2)14(18)22-17(23-15)16-19-9-6-10-20-16;1-26-13-7-2-3-8-14(13)27-15-16(18)20-11-21-17(15)23-28(24,25)22-10-12-6-4-5-9-19-12/h2-12,27H,13H2,1H3,(H,28,29,30);6-12H,4-5H2,1-3H3,(H,23,24,25);5-11,23H,3-4,12H2,1-2H3,(H,24,25,26);2-10,12,22H,11H2,1H3,(H,20,21,23);4-10,21H,3H2,1-2H3,(H,22,23,24);2-9,11,22H,10H2,1H3,(H,20,21,23)
InChIKeyGICOSBYUTSJZCO-UHFFFAOYSA-N
XLogP20.11
TPSA721.86 Ų
H-Bond Donors11
H-Bond Acceptors45
Rotatable Bonds52
Heavy Atoms182
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002742.89
LogP ≤ 520.11
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine?
The IUPAC name of N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine (CID 158263083) is N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine.
What is the SMILES notation for N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine?
The canonical SMILES for N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine is CCCCNS(=O)(=O)Nc1nc(-c2ncccn2)nc(Cl)c1Oc1ccccc1OC.CCN(CC)S(=O)(=O)Nc1nc(-c2ncccn2)nc(Cl)c1Oc1ccccc1OC.CCNS(=O)(=O)Nc1nc(-c2ncccn2)nc(Cl)c1Oc1ccccc1OC.COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)NCc1ccc(Cl)cc1.COc1ccccc1Oc1c(Cl)ncnc1NS(=O)(=O)NCc1ccccc1.COc1ccccc1Oc1c(Cl)ncnc1NS(=O)(=O)NCc1ccccn1.
What is the InChIKey of N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine?
The InChIKey is GICOSBYUTSJZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N6O4S.2C19H21ClN6O4S.C18H17ClN4O4S.C17H17ClN6O4S.C17H16ClN5O4S/c1-33-16-5-2-3-6-17(16)34-18-19(24)28-22(21-25-11-4-12-26-21)29-20(18)30-35(31,32)27-13-14-7-9-15(23)10-8-14;1-4-26(5-2)31(27,28)25-17-15(30-14-10-7-6-9-13(14)29-3)16(20)23-19(24-17)18-21-11-8-12-22-18;1-3-4-12-23-31(27,28)26-17-15(30-14-9-6-5-8-13(14)29-2)16(20)24-19(25-17)18-21-10-7-11-22-18;1-26-14-9-5-6-10-15(14)27-16-17(19)20-12-21-18(16)23-28(24,25)22-11-13-7-3-2-4-8-13;1-3-21-29(25,26)24-15-13(28-12-8-5-4-7-11(12)27-2)14(18)22-17(23-15)16-19-9-6-10-20-16;1-26-13-7-2-3-8-14(13)27-15-16(18)20-11-21-17(15)23-28(24,25)22-10-12-6-4-5-9-19-12/h2-12,27H,13H2,1H3,(H,28,29,30);6-12H,4-5H2,1-3H3,(H,23,24,25);5-11,23H,3-4,12H2,1-2H3,(H,24,25,26);2-10,12,22H,11H2,1H3,(H,20,21,23);4-10,21H,3H2,1-2H3,(H,22,23,24);2-9,11,22H,10H2,1H3,(H,20,21,23).
What are the key properties of N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine?
N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine has a molecular weight of 2742.89 g/mol, XLogP of 20.11, 52 rotatable bonds, 11 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine is sourced from PubChem (CID 158263083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).