N-benzyl-4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;N-[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidine-5-carboxamide;4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide

C117H124Cl2F3N27O12S4 — CID 159710859

IUPACN-benzyl-4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;N-[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidine-5-carboxamide;4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1Nc1cnc(Nc2ccc(S(=O)(=O)NCCN3CCCC3)cc2)nc1.Cc1ccc(S(N)(=O)=O)cc1Nc1cnc(Nc2ccc(S(=O)(=O)NCCN3CCCC3)cc2)nc1.O=C(Nc1ccc(Cl)c(NC(=O)c2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc2)c1)c1cccc(C(F)(F)F)c1.O=C(Nc1cnc(Nc2ccc(CCCN3CCCC3)cc2)nc1)c1cc(Nc2ccc3ccccc3n2)ccc1Cl
InChIInChI=1S/C33H32ClN7O.C31H28ClF3N6O3.C30H35N7O4S2.C23H29N7O4S2/c34-29-15-14-26(37-31-16-11-24-7-1-2-8-30(24)40-31)20-28(29)32(42)38-27-21-35-33(36-22-27)39-25-12-9-23(10-13-25)6-5-19-41-17-3-4-18-41;32-26-11-8-24(38-28(42)20-4-3-5-22(16-20)31(33,34)35)17-27(26)40-29(43)21-18-36-30(37-19-21)39-23-6-9-25(10-7-23)44-15-14-41-12-1-2-13-41;1-23-9-12-28(43(40,41)34-20-24-7-3-2-4-8-24)19-29(23)35-26-21-31-30(32-22-26)36-25-10-13-27(14-11-25)42(38,39)33-15-18-37-16-5-6-17-37;1-17-4-7-21(35(24,31)32)14-22(17)28-19-15-25-23(26-16-19)29-18-5-8-20(9-6-18)36(33,34)27-10-13-30-11-2-3-12-30/h1-2,7-16,20-22H,3-6,17-19H2,(H,37,40)(H,38,42)(H,35,36,39);3-11,16-19H,1-2,12-15H2,(H,38,42)(H,40,43)(H,36,37,39);2-4,7-14,19,21-22,33-35H,5-6,15-18,20H2,1H3,(H,31,32,36);4-9,14-16,27-28H,2-3,10-13H2,1H3,(H2,24,31,32)(H,25,26,29)
InChIKeyMYUYFIQOZBHGTQ-UHFFFAOYSA-N
MW2356.62 g/mol
LogP20.74
Rot. Bonds43

About N-benzyl-4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;N-[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidine-5-carboxamide;4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide

N-benzyl-4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;N-[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidine-5-carboxamide;4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide (PubChem CID 159710859) has the molecular formula C117H124Cl2F3N27O12S4 and a molecular weight of 2356.62 g/mol. Its IUPAC name is N-benzyl-4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;N-[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidine-5-carboxamide;4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;N-[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidine-5-carboxamide;4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide
PubChem CID159710859
Molecular FormulaC117H124Cl2F3N27O12S4
Molecular Weight2356.62 g/mol
Exact Mass2353.81
IUPAC NameN-benzyl-4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;N-[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidine-5-carboxamide;4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1Nc1cnc(Nc2ccc(S(=O)(=O)NCCN3CCCC3)cc2)nc1.Cc1ccc(S(N)(=O)=O)cc1Nc1cnc(Nc2ccc(S(=O)(=O)NCCN3CCCC3)cc2)nc1.O=C(Nc1ccc(Cl)c(NC(=O)c2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc2)c1)c1cccc(C(F)(F)F)c1.O=C(Nc1cnc(Nc2ccc(CCCN3CCCC3)cc2)nc1)c1cc(Nc2ccc3ccccc3n2)ccc1Cl
InChIInChI=1S/C33H32ClN7O.C31H28ClF3N6O3.C30H35N7O4S2.C23H29N7O4S2/c34-29-15-14-26(37-31-16-11-24-7-1-2-8-30(24)40-31)20-28(29)32(42)38-27-21-35-33(36-22-27)39-25-12-9-23(10-13-25)6-5-19-41-17-3-4-18-41;32-26-11-8-24(38-28(42)20-4-3-5-22(16-20)31(33,34)35)17-27(26)40-29(43)21-18-36-30(37-19-21)39-23-6-9-25(10-7-23)44-15-14-41-12-1-2-13-41;1-23-9-12-28(43(40,41)34-20-24-7-3-2-4-8-24)19-29(23)35-26-21-31-30(32-22-26)36-25-10-13-27(14-11-25)42(38,39)33-15-18-37-16-5-6-17-37;1-17-4-7-21(35(24,31)32)14-22(17)28-19-15-25-23(26-16-19)29-18-5-8-20(9-6-18)36(33,34)27-10-13-30-11-2-3-12-30/h1-2,7-16,20-22H,3-6,17-19H2,(H,37,40)(H,38,42)(H,35,36,39);3-11,16-19H,1-2,12-15H2,(H,38,42)(H,40,43)(H,36,37,39);2-4,7-14,19,21-22,33-35H,5-6,15-18,20H2,1H3,(H,31,32,36);4-9,14-16,27-28H,2-3,10-13H2,1H3,(H2,24,31,32)(H,25,26,29)
InChIKeyMYUYFIQOZBHGTQ-UHFFFAOYSA-N
XLogP20.74
TPSA508.38 Ų
H-Bond Donors14
H-Bond Acceptors32
Rotatable Bonds43
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002356.62
LogP ≤ 520.74
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1032

Analyze N-benzyl-4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;N-[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidine-5-carboxamide;4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide with MolForge

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Related Compounds

N-benzyl-4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide
CID 24961821
N-[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-[[3-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,3-dien-1-yl]amino]pyrimidine-5-carboxamide
CID 143609660
N-[5-[[3-(fluoromethyl)benzoyl]amino]-2-methylphenyl]-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidine-5-carboxamide
CID 71133390
N-[4-methyl-3-[2-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide
CID 123386547
2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68846956
2-chloro-5-[(3-methylbenzoyl)amino]-N-[2-[4-(3-pyrrolidin-1-ylpropylsulfanyl)anilino]pyrimidin-5-yl]benzamide
CID 143609709
N-[3-[chloro-[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 87396640
2-methyl-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]benzamide
CID 143609691
4-[[4-(3-methoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 66637335
N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 59652745
N-benzyl-3-[[2-[4-[ethyl(pyrrolidin-1-yl)sulfamoyl]anilino]pyrimidin-5-yl]amino]-4-methylbenzenesulfonamide
CID 67429342
N-(2,3-dihydro-1H-inden-4-yl)-4-methyl-3-[2-[4-(3-piperidin-1-ylpropoxy)anilino]quinazolin-6-yl]benzamide
CID 58829472

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;N-[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidine-5-carboxamide;4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;N-[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidine-5-carboxamide;4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide (CID 159710859) is N-benzyl-4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;N-[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidine-5-carboxamide;4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;N-[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidine-5-carboxamide;4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;N-[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidine-5-carboxamide;4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1Nc1cnc(Nc2ccc(S(=O)(=O)NCCN3CCCC3)cc2)nc1.Cc1ccc(S(N)(=O)=O)cc1Nc1cnc(Nc2ccc(S(=O)(=O)NCCN3CCCC3)cc2)nc1.O=C(Nc1ccc(Cl)c(NC(=O)c2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc2)c1)c1cccc(C(F)(F)F)c1.O=C(Nc1cnc(Nc2ccc(CCCN3CCCC3)cc2)nc1)c1cc(Nc2ccc3ccccc3n2)ccc1Cl.
What is the InChIKey of N-benzyl-4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;N-[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidine-5-carboxamide;4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide?
The InChIKey is MYUYFIQOZBHGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32ClN7O.C31H28ClF3N6O3.C30H35N7O4S2.C23H29N7O4S2/c34-29-15-14-26(37-31-16-11-24-7-1-2-8-30(24)40-31)20-28(29)32(42)38-27-21-35-33(36-22-27)39-25-12-9-23(10-13-25)6-5-19-41-17-3-4-18-41;32-26-11-8-24(38-28(42)20-4-3-5-22(16-20)31(33,34)35)17-27(26)40-29(43)21-18-36-30(37-19-21)39-23-6-9-25(10-7-23)44-15-14-41-12-1-2-13-41;1-23-9-12-28(43(40,41)34-20-24-7-3-2-4-8-24)19-29(23)35-26-21-31-30(32-22-26)36-25-10-13-27(14-11-25)42(38,39)33-15-18-37-16-5-6-17-37;1-17-4-7-21(35(24,31)32)14-22(17)28-19-15-25-23(26-16-19)29-18-5-8-20(9-6-18)36(33,34)27-10-13-30-11-2-3-12-30/h1-2,7-16,20-22H,3-6,17-19H2,(H,37,40)(H,38,42)(H,35,36,39);3-11,16-19H,1-2,12-15H2,(H,38,42)(H,40,43)(H,36,37,39);2-4,7-14,19,21-22,33-35H,5-6,15-18,20H2,1H3,(H,31,32,36);4-9,14-16,27-28H,2-3,10-13H2,1H3,(H2,24,31,32)(H,25,26,29).
What are the key properties of N-benzyl-4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;N-[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidine-5-carboxamide;4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide?
N-benzyl-4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;N-[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidine-5-carboxamide;4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide has a molecular weight of 2356.62 g/mol, XLogP of 20.74, 43 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;N-[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidine-5-carboxamide;4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide is sourced from PubChem (CID 159710859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).