2-[6-(benzylsulfamoylamino)-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;2-chloro-5-methoxyphenol;5-(2-chloro-5-methoxyphenoxy)-4-hydroxy-1H-pyrimidin-6-one;4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;dimethyl 2-(2-chloro-5-methoxyphenoxy)propanedioate

C103H95BrCl10N18O30S3 — CID 157235799

IUPAC2-[6-(benzylsulfamoylamino)-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;2-chloro-5-methoxyphenol;5-(2-chloro-5-methoxyphenoxy)-4-hydroxy-1H-pyrimidin-6-one;4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;dimethyl 2-(2-chloro-5-methoxyphenoxy)propanedioate
SMILESCOC(=O)C(Oc1cc(OC)ccc1Cl)C(=O)OC.COc1ccc(Cl)c(O)c1.COc1ccc(Cl)c(Oc2c(Cl)ncnc2Cl)c1.COc1ccc(Cl)c(Oc2c(Cl)ncnc2NS(=O)(=O)NCc2ccccc2)c1.COc1ccc(Cl)c(Oc2c(NS(=O)(=O)NCc3ccccc3)ncnc2OCCO)c1.COc1ccc(Cl)c(Oc2c(NS(=O)(=O)NCc3ccccc3)ncnc2OCCOc2ncc(Br)cn2)c1.COc1ccc(Cl)c(Oc2c(O)nc[nH]c2=O)c1
InChIInChI=1S/C24H22BrClN6O6S.C20H21ClN4O6S.C18H16Cl2N4O4S.C12H13ClO6.C11H7Cl3N2O2.C11H9ClN2O4.C7H7ClO2/c1-35-18-7-8-19(26)20(11-18)38-21-22(32-39(33,34)31-12-16-5-3-2-4-6-16)29-15-30-23(21)36-9-10-37-24-27-13-17(25)14-28-24;1-29-15-7-8-16(21)17(11-15)31-18-19(22-13-23-20(18)30-10-9-26)25-32(27,28)24-12-14-5-3-2-4-6-14;1-27-13-7-8-14(19)15(9-13)28-16-17(20)21-11-22-18(16)24-29(25,26)23-10-12-5-3-2-4-6-12;1-16-7-4-5-8(13)9(6-7)19-10(11(14)17-2)12(15)18-3;1-17-6-2-3-7(12)8(4-6)18-9-10(13)15-5-16-11(9)14;1-17-6-2-3-7(12)8(4-6)18-9-10(15)13-5-14-11(9)16;1-10-5-2-3-6(8)7(9)4-5/h2-8,11,13-15,31H,9-10,12H2,1H3,(H,29,30,32);2-8,11,13,24,26H,9-10,12H2,1H3,(H,22,23,25);2-9,11,23H,10H2,1H3,(H,21,22,24);4-6,10H,1-3H3;2-5H,1H3;2-5H,1H3,(H2,13,14,15,16);2-4,9H,1H3
InChIKeyAUPTWXQLPGEFAD-UHFFFAOYSA-N
MW2595.62 g/mol
LogP20.83
Rot. Bonds44

About 2-[6-(benzylsulfamoylamino)-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;2-chloro-5-methoxyphenol;5-(2-chloro-5-methoxyphenoxy)-4-hydroxy-1H-pyrimidin-6-one;4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;dimethyl 2-(2-chloro-5-methoxyphenoxy)propanedioate

2-[6-(benzylsulfamoylamino)-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;2-chloro-5-methoxyphenol;5-(2-chloro-5-methoxyphenoxy)-4-hydroxy-1H-pyrimidin-6-one;4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;dimethyl 2-(2-chloro-5-methoxyphenoxy)propanedioate (PubChem CID 157235799) has the molecular formula C103H95BrCl10N18O30S3 and a molecular weight of 2595.62 g/mol. Its IUPAC name is 2-[6-(benzylsulfamoylamino)-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;2-chloro-5-methoxyphenol;5-(2-chloro-5-methoxyphenoxy)-4-hydroxy-1H-pyrimidin-6-one;4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;dimethyl 2-(2-chloro-5-methoxyphenoxy)propanedioate.

Molecular Properties

Compound Name2-[6-(benzylsulfamoylamino)-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;2-chloro-5-methoxyphenol;5-(2-chloro-5-methoxyphenoxy)-4-hydroxy-1H-pyrimidin-6-one;4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;dimethyl 2-(2-chloro-5-methoxyphenoxy)propanedioate
PubChem CID157235799
Molecular FormulaC103H95BrCl10N18O30S3
Molecular Weight2595.62 g/mol
Exact Mass2588.17
IUPAC Name2-[6-(benzylsulfamoylamino)-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;2-chloro-5-methoxyphenol;5-(2-chloro-5-methoxyphenoxy)-4-hydroxy-1H-pyrimidin-6-one;4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;dimethyl 2-(2-chloro-5-methoxyphenoxy)propanedioate
SMILESCOC(=O)C(Oc1cc(OC)ccc1Cl)C(=O)OC.COc1ccc(Cl)c(O)c1.COc1ccc(Cl)c(Oc2c(Cl)ncnc2Cl)c1.COc1ccc(Cl)c(Oc2c(Cl)ncnc2NS(=O)(=O)NCc2ccccc2)c1.COc1ccc(Cl)c(Oc2c(NS(=O)(=O)NCc3ccccc3)ncnc2OCCO)c1.COc1ccc(Cl)c(Oc2c(NS(=O)(=O)NCc3ccccc3)ncnc2OCCOc2ncc(Br)cn2)c1.COc1ccc(Cl)c(Oc2c(O)nc[nH]c2=O)c1
InChIInChI=1S/C24H22BrClN6O6S.C20H21ClN4O6S.C18H16Cl2N4O4S.C12H13ClO6.C11H7Cl3N2O2.C11H9ClN2O4.C7H7ClO2/c1-35-18-7-8-19(26)20(11-18)38-21-22(32-39(33,34)31-12-16-5-3-2-4-6-16)29-15-30-23(21)36-9-10-37-24-27-13-17(25)14-28-24;1-29-15-7-8-16(21)17(11-15)31-18-19(22-13-23-20(18)30-10-9-26)25-32(27,28)24-12-14-5-3-2-4-6-14;1-27-13-7-8-14(19)15(9-13)28-16-17(20)21-11-22-18(16)24-29(25,26)23-10-12-5-3-2-4-6-12;1-16-7-4-5-8(13)9(6-7)19-10(11(14)17-2)12(15)18-3;1-17-6-2-3-7(12)8(4-6)18-9-10(13)15-5-16-11(9)14;1-17-6-2-3-7(12)8(4-6)18-9-10(15)13-5-14-11(9)16;1-10-5-2-3-6(8)7(9)4-5/h2-8,11,13-15,31H,9-10,12H2,1H3,(H,29,30,32);2-8,11,13,24,26H,9-10,12H2,1H3,(H,22,23,25);2-9,11,23H,10H2,1H3,(H,21,22,24);4-6,10H,1-3H3;2-5H,1H3;2-5H,1H3,(H2,13,14,15,16);2-4,9H,1H3
InChIKeyAUPTWXQLPGEFAD-UHFFFAOYSA-N
XLogP20.83
TPSA610.22 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds44
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002595.62
LogP ≤ 520.83
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[6-(benzylsulfamoylamino)-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;2-chloro-5-methoxyphenol;5-(2-chloro-5-methoxyphenoxy)-4-hydroxy-1H-pyrimidin-6-one;4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;dimethyl 2-(2-chloro-5-methoxyphenoxy)propanedioate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(benzylsulfamoylamino)-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;2-chloro-5-methoxyphenol;5-(2-chloro-5-methoxyphenoxy)-4-hydroxy-1H-pyrimidin-6-one;4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;dimethyl 2-(2-chloro-5-methoxyphenoxy)propanedioate?
The IUPAC name of 2-[6-(benzylsulfamoylamino)-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;2-chloro-5-methoxyphenol;5-(2-chloro-5-methoxyphenoxy)-4-hydroxy-1H-pyrimidin-6-one;4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;dimethyl 2-(2-chloro-5-methoxyphenoxy)propanedioate (CID 157235799) is 2-[6-(benzylsulfamoylamino)-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;2-chloro-5-methoxyphenol;5-(2-chloro-5-methoxyphenoxy)-4-hydroxy-1H-pyrimidin-6-one;4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;dimethyl 2-(2-chloro-5-methoxyphenoxy)propanedioate.
What is the SMILES notation for 2-[6-(benzylsulfamoylamino)-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;2-chloro-5-methoxyphenol;5-(2-chloro-5-methoxyphenoxy)-4-hydroxy-1H-pyrimidin-6-one;4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;dimethyl 2-(2-chloro-5-methoxyphenoxy)propanedioate?
The canonical SMILES for 2-[6-(benzylsulfamoylamino)-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;2-chloro-5-methoxyphenol;5-(2-chloro-5-methoxyphenoxy)-4-hydroxy-1H-pyrimidin-6-one;4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;dimethyl 2-(2-chloro-5-methoxyphenoxy)propanedioate is COC(=O)C(Oc1cc(OC)ccc1Cl)C(=O)OC.COc1ccc(Cl)c(O)c1.COc1ccc(Cl)c(Oc2c(Cl)ncnc2Cl)c1.COc1ccc(Cl)c(Oc2c(Cl)ncnc2NS(=O)(=O)NCc2ccccc2)c1.COc1ccc(Cl)c(Oc2c(NS(=O)(=O)NCc3ccccc3)ncnc2OCCO)c1.COc1ccc(Cl)c(Oc2c(NS(=O)(=O)NCc3ccccc3)ncnc2OCCOc2ncc(Br)cn2)c1.COc1ccc(Cl)c(Oc2c(O)nc[nH]c2=O)c1.
What is the InChIKey of 2-[6-(benzylsulfamoylamino)-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;2-chloro-5-methoxyphenol;5-(2-chloro-5-methoxyphenoxy)-4-hydroxy-1H-pyrimidin-6-one;4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;dimethyl 2-(2-chloro-5-methoxyphenoxy)propanedioate?
The InChIKey is AUPTWXQLPGEFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrClN6O6S.C20H21ClN4O6S.C18H16Cl2N4O4S.C12H13ClO6.C11H7Cl3N2O2.C11H9ClN2O4.C7H7ClO2/c1-35-18-7-8-19(26)20(11-18)38-21-22(32-39(33,34)31-12-16-5-3-2-4-6-16)29-15-30-23(21)36-9-10-37-24-27-13-17(25)14-28-24;1-29-15-7-8-16(21)17(11-15)31-18-19(22-13-23-20(18)30-10-9-26)25-32(27,28)24-12-14-5-3-2-4-6-14;1-27-13-7-8-14(19)15(9-13)28-16-17(20)21-11-22-18(16)24-29(25,26)23-10-12-5-3-2-4-6-12;1-16-7-4-5-8(13)9(6-7)19-10(11(14)17-2)12(15)18-3;1-17-6-2-3-7(12)8(4-6)18-9-10(13)15-5-16-11(9)14;1-17-6-2-3-7(12)8(4-6)18-9-10(15)13-5-14-11(9)16;1-10-5-2-3-6(8)7(9)4-5/h2-8,11,13-15,31H,9-10,12H2,1H3,(H,29,30,32);2-8,11,13,24,26H,9-10,12H2,1H3,(H,22,23,25);2-9,11,23H,10H2,1H3,(H,21,22,24);4-6,10H,1-3H3;2-5H,1H3;2-5H,1H3,(H2,13,14,15,16);2-4,9H,1H3.
What are the key properties of 2-[6-(benzylsulfamoylamino)-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;2-chloro-5-methoxyphenol;5-(2-chloro-5-methoxyphenoxy)-4-hydroxy-1H-pyrimidin-6-one;4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;dimethyl 2-(2-chloro-5-methoxyphenoxy)propanedioate?
2-[6-(benzylsulfamoylamino)-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;2-chloro-5-methoxyphenol;5-(2-chloro-5-methoxyphenoxy)-4-hydroxy-1H-pyrimidin-6-one;4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;dimethyl 2-(2-chloro-5-methoxyphenoxy)propanedioate has a molecular weight of 2595.62 g/mol, XLogP of 20.83, 44 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(benzylsulfamoylamino)-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-yl]oxyethanol;N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine;2-chloro-5-methoxyphenol;5-(2-chloro-5-methoxyphenoxy)-4-hydroxy-1H-pyrimidin-6-one;4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;dimethyl 2-(2-chloro-5-methoxyphenoxy)propanedioate is sourced from PubChem (CID 157235799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).