N-tert-butyl-3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(2-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide)

C122H139N35O10S5 — CID 158688486

IUPACN-tert-butyl-3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(2-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide)
SMILESCc1cn(-c2ccc(Nc3ncc(C)c(Nc4cccc(S(=O)(=O)NC(C)(C)C)c4)n3)cc2)cn1.Cc1cnc(Nc2ccc(-n3cccn3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(-n3cccn3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(-n3ccnc3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(-n3ccnc3C)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/2C25H29N7O2S.3C24H27N7O2S/c1-17-14-26-24(29-19-9-11-21(12-10-19)32-15-18(2)27-16-32)30-23(17)28-20-7-6-8-22(13-20)35(33,34)31-25(3,4)5;1-17-16-27-24(29-19-9-11-21(12-10-19)32-14-13-26-18(32)2)30-23(17)28-20-7-6-8-22(15-20)35(33,34)31-25(3,4)5;2*1-17-16-25-23(28-18-9-11-20(12-10-18)31-14-6-13-26-31)29-22(17)27-19-7-5-8-21(15-19)34(32,33)30-24(2,3)4;1-17-15-26-23(28-18-8-10-20(11-9-18)31-13-12-25-16-31)29-22(17)27-19-6-5-7-21(14-19)34(32,33)30-24(2,3)4/h6-16,31H,1-5H3,(H2,26,28,29,30);6-16,31H,1-5H3,(H2,27,28,29,30);2*5-16,30H,1-4H3,(H2,25,27,28,29);5-16,30H,1-4H3,(H2,26,27,28,29)
InChIKeyIGASUJMFQTVCON-UHFFFAOYSA-N
MW2416.02 g/mol
LogP23.29
Rot. Bonds35

About N-tert-butyl-3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(2-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide)

N-tert-butyl-3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(2-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide) (PubChem CID 158688486) has the molecular formula C122H139N35O10S5 and a molecular weight of 2416.02 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(2-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide).

Molecular Properties

Compound NameN-tert-butyl-3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(2-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide)
PubChem CID158688486
Molecular FormulaC122H139N35O10S5
Molecular Weight2416.02 g/mol
Exact Mass2414.00
IUPAC NameN-tert-butyl-3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(2-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide)
SMILESCc1cn(-c2ccc(Nc3ncc(C)c(Nc4cccc(S(=O)(=O)NC(C)(C)C)c4)n3)cc2)cn1.Cc1cnc(Nc2ccc(-n3cccn3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(-n3cccn3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(-n3ccnc3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(-n3ccnc3C)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/2C25H29N7O2S.3C24H27N7O2S/c1-17-14-26-24(29-19-9-11-21(12-10-19)32-15-18(2)27-16-32)30-23(17)28-20-7-6-8-22(13-20)35(33,34)31-25(3,4)5;1-17-16-27-24(29-19-9-11-21(12-10-19)32-14-13-26-18(32)2)30-23(17)28-20-7-6-8-22(15-20)35(33,34)31-25(3,4)5;2*1-17-16-25-23(28-18-9-11-20(12-10-18)31-14-6-13-26-31)29-22(17)27-19-7-5-8-21(15-19)34(32,33)30-24(2,3)4;1-17-15-26-23(28-18-8-10-20(11-9-18)31-13-12-25-16-31)29-22(17)27-19-6-5-7-21(14-19)34(32,33)30-24(2,3)4/h6-16,31H,1-5H3,(H2,26,28,29,30);6-16,31H,1-5H3,(H2,27,28,29,30);2*5-16,30H,1-4H3,(H2,25,27,28,29);5-16,30H,1-4H3,(H2,26,27,28,29)
InChIKeyIGASUJMFQTVCON-UHFFFAOYSA-N
XLogP23.29
TPSA569.15 Ų
H-Bond Donors15
H-Bond Acceptors40
Rotatable Bonds35
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002416.02
LogP ≤ 523.29
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1040

Analyze N-tert-butyl-3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(2-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-3-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(3-piperidin-1-ylsulfonylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(pyrazol-1-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
CID 158550119
5-[(10,12-Dimethylspiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl)amino]pyridine-2-sulfonamide;6-[(10,12-dimethylspiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl)amino]pyridine-3-sulfonamide;6-[(10-methyl-12-propan-2-ylspiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl)amino]pyridine-3-sulfonamide;5-[[10-methyl-12-(trifluoromethyl)spiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-4-yl]amino]pyridine-2-sulfonamide
CID 168382792
N-tert-butyl-3-[[5-methyl-2-[[6-[4-[2-methyl-2-[[3-[[5-methyl-2-[4-(pyrazol-1-ylmethyl)anilino]pyrimidin-4-yl]amino]phenyl]sulfonylamino]propyl]piperazin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide
CID 91081518
N-tert-butyl-3-[[5-methyl-2-[4-[2-methyl-4-[2-methyl-2-[[3-[[5-methyl-2-[4-[(2-methylimidazol-1-yl)methyl]anilino]pyrimidin-4-yl]amino]phenyl]sulfonylamino]propyl]imidazol-1-yl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide
CID 91533088
2-Methyl-5-[[3-[3-[[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]pyridin-1-ium-1-yl]-1-[4-[3-[6-(4-methyl-3-sulfamoylanilino)pyrazolo[3,4-d]pyrimidin-2-yl]phenyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide
CID 123148583
4-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]bicyclo[2.2.2]octan-1-amine;N-[4-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]-1-bicyclo[2.2.2]octanyl]pyrrolidine-1-sulfonamide;N-[4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-1-bicyclo[2.2.2]octanyl]pyrrolidine-1-sulfonamide
CID 157094082
4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyrrol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 157106280
1,2-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;N,1-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-2-sulfonamide;1-methyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-sulfonamide
CID 157179802
4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 157275543
6-(2-aminoethyl)-N-(4-imidazol-1-ylphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-(1-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 157683257
4-[[5-amino-1-[4-[5-amino-4-[[4-[bis(2-ethylhexyl)sulfamoyl]phenyl]diazenyl]-3-tert-butylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-N,N-bis(2-ethylhexyl)benzenesulfonamide;3-[[5-amino-1-[6-[5-amino-3-tert-butyl-4-[[3-(dibutylsulfamoyl)phenyl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butylpyrazol-4-yl]diazenyl]-N,N-dibutylbenzenesulfonamide;3-[[1-[6-[4-[[3-[bis(2-ethylhexyl)sulfamoyl]phenyl]diazenyl]-3-tert-butyl-5-(dimethylamino)pyrazol-1-yl]pyrimidin-4-yl]-3-tert-butyl-5-(dimethylamino)pyrazol-4-yl]diazenyl]-N,N-bis(2-ethylhexyl)benzenesulfonamide
CID 157687884
4-[[5-Amino-1-[5-ethyl-6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[2-methyl-6-(piperidin-4-ylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[2-methyl-6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide
CID 157791958

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(2-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide)?
The IUPAC name of N-tert-butyl-3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(2-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide) (CID 158688486) is N-tert-butyl-3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(2-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide).
What is the SMILES notation for N-tert-butyl-3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(2-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide)?
The canonical SMILES for N-tert-butyl-3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(2-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide) is Cc1cn(-c2ccc(Nc3ncc(C)c(Nc4cccc(S(=O)(=O)NC(C)(C)C)c4)n3)cc2)cn1.Cc1cnc(Nc2ccc(-n3cccn3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(-n3cccn3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(-n3ccnc3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(-n3ccnc3C)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(2-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide)?
The InChIKey is IGASUJMFQTVCON-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H29N7O2S.3C24H27N7O2S/c1-17-14-26-24(29-19-9-11-21(12-10-19)32-15-18(2)27-16-32)30-23(17)28-20-7-6-8-22(13-20)35(33,34)31-25(3,4)5;1-17-16-27-24(29-19-9-11-21(12-10-19)32-14-13-26-18(32)2)30-23(17)28-20-7-6-8-22(15-20)35(33,34)31-25(3,4)5;2*1-17-16-25-23(28-18-9-11-20(12-10-18)31-14-6-13-26-31)29-22(17)27-19-7-5-8-21(15-19)34(32,33)30-24(2,3)4;1-17-15-26-23(28-18-8-10-20(11-9-18)31-13-12-25-16-31)29-22(17)27-19-6-5-7-21(14-19)34(32,33)30-24(2,3)4/h6-16,31H,1-5H3,(H2,26,28,29,30);6-16,31H,1-5H3,(H2,27,28,29,30);2*5-16,30H,1-4H3,(H2,25,27,28,29);5-16,30H,1-4H3,(H2,26,27,28,29).
What are the key properties of N-tert-butyl-3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(2-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide)?
N-tert-butyl-3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(2-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide) has a molecular weight of 2416.02 g/mol, XLogP of 23.29, 35 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(2-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-tert-butyl-3-[[5-methyl-2-[4-(4-methylimidazol-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;bis(N-tert-butyl-3-[[5-methyl-2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide) is sourced from PubChem (CID 158688486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).