1-hydroxy-3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]propan-2-one;N-[(1-methylimidazol-4-yl)methyl]-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;N-methyl-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;2-[methyl-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]ethanol;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-amine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-amine;2-[1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-yl]propan-2-ol

C132H149N39O18S7 — CID 158136670

IUPAC1-hydroxy-3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]propan-2-one;N-[(1-methylimidazol-4-yl)methyl]-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;N-methyl-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;2-[methyl-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]ethanol;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-amine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-amine;2-[1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CN(Cc2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)C1.CN(CCO)Cc1ccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)cc1.CN1CC(NCc2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)C1.CN1CCC(NCc2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)C1.CNCc1ccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)cc1.CS(=O)(=O)c1cccc(-c2ccc(CNCC(=O)CO)cc2)c1-c1nn[nH]n1.Cn1cnc(CNCc2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)c1
InChIInChI=1S/C21H25N5O3S.C20H21N7O2S.C20H24N6O2S.C19H22N6O2S.C18H19N5O4S.C18H21N5O3S.C16H17N5O2S/c1-21(2,27)16-12-26(13-16)11-14-7-9-15(10-8-14)17-5-4-6-18(30(3,28)29)19(17)20-22-24-25-23-20;1-27-12-16(22-13-27)11-21-10-14-6-8-15(9-7-14)17-4-3-5-18(30(2,28)29)19(17)20-23-25-26-24-20;1-26-11-10-16(13-26)21-12-14-6-8-15(9-7-14)17-4-3-5-18(29(2,27)28)19(17)20-22-24-25-23-20;1-25-11-15(12-25)20-10-13-6-8-14(9-7-13)16-4-3-5-17(28(2,26)27)18(16)19-21-23-24-22-19;1-28(26,27)16-4-2-3-15(17(16)18-20-22-23-21-18)13-7-5-12(6-8-13)9-19-10-14(25)11-24;1-23(10-11-24)12-13-6-8-14(9-7-13)15-4-3-5-16(27(2,25)26)17(15)18-19-21-22-20-18;1-17-10-11-6-8-12(9-7-11)13-4-3-5-14(24(2,22)23)15(13)16-18-20-21-19-16/h4-10,16,27H,11-13H2,1-3H3,(H,22,23,24,25);3-9,12-13,21H,10-11H2,1-2H3,(H,23,24,25,26);3-9,16,21H,10-13H2,1-2H3,(H,22,23,24,25);3-9,15,20H,10-12H2,1-2H3,(H,21,22,23,24);2-8,19,24H,9-11H2,1H3,(H,20,21,22,23);3-9,24H,10-12H2,1-2H3,(H,19,20,21,22);3-9,17H,10H2,1-2H3,(H,18,19,20,21)
InChIKeyFTKUKGXGZMMQNO-UHFFFAOYSA-N
MW2794.37 g/mol
LogP10.78
Rot. Bonds45

About 1-hydroxy-3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]propan-2-one;N-[(1-methylimidazol-4-yl)methyl]-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;N-methyl-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;2-[methyl-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]ethanol;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-amine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-amine;2-[1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-yl]propan-2-ol

1-hydroxy-3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]propan-2-one;N-[(1-methylimidazol-4-yl)methyl]-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;N-methyl-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;2-[methyl-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]ethanol;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-amine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-amine;2-[1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-yl]propan-2-ol (PubChem CID 158136670) has the molecular formula C132H149N39O18S7 and a molecular weight of 2794.37 g/mol. Its IUPAC name is 1-hydroxy-3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]propan-2-one;N-[(1-methylimidazol-4-yl)methyl]-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;N-methyl-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;2-[methyl-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]ethanol;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-amine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-amine;2-[1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name1-hydroxy-3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]propan-2-one;N-[(1-methylimidazol-4-yl)methyl]-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;N-methyl-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;2-[methyl-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]ethanol;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-amine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-amine;2-[1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-yl]propan-2-ol
PubChem CID158136670
Molecular FormulaC132H149N39O18S7
Molecular Weight2794.37 g/mol
Exact Mass2792.00
IUPAC Name1-hydroxy-3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]propan-2-one;N-[(1-methylimidazol-4-yl)methyl]-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;N-methyl-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;2-[methyl-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]ethanol;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-amine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-amine;2-[1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CN(Cc2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)C1.CN(CCO)Cc1ccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)cc1.CN1CC(NCc2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)C1.CN1CCC(NCc2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)C1.CNCc1ccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)cc1.CS(=O)(=O)c1cccc(-c2ccc(CNCC(=O)CO)cc2)c1-c1nn[nH]n1.Cn1cnc(CNCc2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)c1
InChIInChI=1S/C21H25N5O3S.C20H21N7O2S.C20H24N6O2S.C19H22N6O2S.C18H19N5O4S.C18H21N5O3S.C16H17N5O2S/c1-21(2,27)16-12-26(13-16)11-14-7-9-15(10-8-14)17-5-4-6-18(30(3,28)29)19(17)20-22-24-25-23-20;1-27-12-16(22-13-27)11-21-10-14-6-8-15(9-7-14)17-4-3-5-18(30(2,28)29)19(17)20-23-25-26-24-20;1-26-11-10-16(13-26)21-12-14-6-8-15(9-7-14)17-4-3-5-18(29(2,27)28)19(17)20-22-24-25-23-20;1-25-11-15(12-25)20-10-13-6-8-14(9-7-13)16-4-3-5-17(28(2,26)27)18(16)19-21-23-24-22-19;1-28(26,27)16-4-2-3-15(17(16)18-20-22-23-21-18)13-7-5-12(6-8-13)9-19-10-14(25)11-24;1-23(10-11-24)12-13-6-8-14(9-7-13)15-4-3-5-16(27(2,25)26)17(15)18-19-21-22-20-18;1-17-10-11-6-8-12(9-7-11)13-4-3-5-14(24(2,22)23)15(13)16-18-20-21-19-16/h4-10,16,27H,11-13H2,1-3H3,(H,22,23,24,25);3-9,12-13,21H,10-11H2,1-2H3,(H,23,24,25,26);3-9,16,21H,10-13H2,1-2H3,(H,22,23,24,25);3-9,15,20H,10-12H2,1-2H3,(H,21,22,23,24);2-8,19,24H,9-11H2,1H3,(H,20,21,22,23);3-9,24H,10-12H2,1-2H3,(H,19,20,21,22);3-9,17H,10H2,1-2H3,(H,18,19,20,21)
InChIKeyFTKUKGXGZMMQNO-UHFFFAOYSA-N
XLogP10.78
TPSA788.89 Ų
H-Bond Donors15
H-Bond Acceptors50
Rotatable Bonds45
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002794.37
LogP ≤ 510.78
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1050

Analyze 1-hydroxy-3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]propan-2-one;N-[(1-methylimidazol-4-yl)methyl]-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;N-methyl-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;2-[methyl-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]ethanol;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-amine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-amine;2-[1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-yl]propan-2-ol with MolForge

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Related Compounds

1-[(1-methylimidazol-2-yl)methyl]-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine;1-[(3-methylimidazol-4-yl)methyl]-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine;(2R)-2-[[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-yl]methyl]morpholine;2-[1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]azetidin-3-yl]propan-2-ol;N-[1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-yl]acetamide;[1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 157485019
1-(azetidin-3-ylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine;1-[(1-methylimidazol-2-yl)methyl]-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine;1-[(3-methylimidazol-4-yl)methyl]-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-yl]ethanamine;(2R)-2-[[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-yl]methyl]morpholine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine
CID 157730258
1-hydroxy-3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]propan-2-one;N-[(1-methylimidazol-4-yl)methyl]-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;N-methyl-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-amine;1-methyl-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]piperazine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-amine;N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-pyrrolidin-1-ylethanamine
CID 157905789
1-methyl-4-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;N-methyl-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine;2-(3-methylsulfonylazetidin-1-yl)-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propan-1-amine;1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]pyridine
CID 159731087
N,N-dimethyl-1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-amine;2-[1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]azetidin-3-yl]propan-2-ol;N-[1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-yl]acetamide;[1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-yl]methanol;2-[1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pyrrolidin-3-yl]propan-2-ol;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-(pyrrolidin-3-ylmethyl)pyridine;N,N,3-trimethyl-1-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]azetidin-3-amine
CID 159869947

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]propan-2-one;N-[(1-methylimidazol-4-yl)methyl]-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;N-methyl-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;2-[methyl-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]ethanol;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-amine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-amine;2-[1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-yl]propan-2-ol?
The IUPAC name of 1-hydroxy-3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]propan-2-one;N-[(1-methylimidazol-4-yl)methyl]-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;N-methyl-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;2-[methyl-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]ethanol;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-amine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-amine;2-[1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-yl]propan-2-ol (CID 158136670) is 1-hydroxy-3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]propan-2-one;N-[(1-methylimidazol-4-yl)methyl]-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;N-methyl-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;2-[methyl-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]ethanol;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-amine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-amine;2-[1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-yl]propan-2-ol.
What is the SMILES notation for 1-hydroxy-3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]propan-2-one;N-[(1-methylimidazol-4-yl)methyl]-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;N-methyl-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;2-[methyl-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]ethanol;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-amine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-amine;2-[1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-yl]propan-2-ol?
The canonical SMILES for 1-hydroxy-3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]propan-2-one;N-[(1-methylimidazol-4-yl)methyl]-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;N-methyl-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;2-[methyl-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]ethanol;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-amine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-amine;2-[1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-yl]propan-2-ol is CC(C)(O)C1CN(Cc2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)C1.CN(CCO)Cc1ccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)cc1.CN1CC(NCc2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)C1.CN1CCC(NCc2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)C1.CNCc1ccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)cc1.CS(=O)(=O)c1cccc(-c2ccc(CNCC(=O)CO)cc2)c1-c1nn[nH]n1.Cn1cnc(CNCc2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)c1.
What is the InChIKey of 1-hydroxy-3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]propan-2-one;N-[(1-methylimidazol-4-yl)methyl]-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;N-methyl-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;2-[methyl-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]ethanol;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-amine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-amine;2-[1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-yl]propan-2-ol?
The InChIKey is FTKUKGXGZMMQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S.C20H21N7O2S.C20H24N6O2S.C19H22N6O2S.C18H19N5O4S.C18H21N5O3S.C16H17N5O2S/c1-21(2,27)16-12-26(13-16)11-14-7-9-15(10-8-14)17-5-4-6-18(30(3,28)29)19(17)20-22-24-25-23-20;1-27-12-16(22-13-27)11-21-10-14-6-8-15(9-7-14)17-4-3-5-18(30(2,28)29)19(17)20-23-25-26-24-20;1-26-11-10-16(13-26)21-12-14-6-8-15(9-7-14)17-4-3-5-18(29(2,27)28)19(17)20-22-24-25-23-20;1-25-11-15(12-25)20-10-13-6-8-14(9-7-13)16-4-3-5-17(28(2,26)27)18(16)19-21-23-24-22-19;1-28(26,27)16-4-2-3-15(17(16)18-20-22-23-21-18)13-7-5-12(6-8-13)9-19-10-14(25)11-24;1-23(10-11-24)12-13-6-8-14(9-7-13)15-4-3-5-16(27(2,25)26)17(15)18-19-21-22-20-18;1-17-10-11-6-8-12(9-7-11)13-4-3-5-14(24(2,22)23)15(13)16-18-20-21-19-16/h4-10,16,27H,11-13H2,1-3H3,(H,22,23,24,25);3-9,12-13,21H,10-11H2,1-2H3,(H,23,24,25,26);3-9,16,21H,10-13H2,1-2H3,(H,22,23,24,25);3-9,15,20H,10-12H2,1-2H3,(H,21,22,23,24);2-8,19,24H,9-11H2,1H3,(H,20,21,22,23);3-9,24H,10-12H2,1-2H3,(H,19,20,21,22);3-9,17H,10H2,1-2H3,(H,18,19,20,21).
What are the key properties of 1-hydroxy-3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]propan-2-one;N-[(1-methylimidazol-4-yl)methyl]-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;N-methyl-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;2-[methyl-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]ethanol;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-amine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-amine;2-[1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-yl]propan-2-ol?
1-hydroxy-3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]propan-2-one;N-[(1-methylimidazol-4-yl)methyl]-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;N-methyl-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;2-[methyl-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]ethanol;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-amine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-amine;2-[1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-yl]propan-2-ol has a molecular weight of 2794.37 g/mol, XLogP of 10.78, 45 rotatable bonds, 15 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]propan-2-one;N-[(1-methylimidazol-4-yl)methyl]-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;N-methyl-1-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;2-[methyl-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]ethanol;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-amine;1-methyl-N-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolidin-3-amine;2-[1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]azetidin-3-yl]propan-2-ol is sourced from PubChem (CID 158136670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).