N-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]-2,2,2-trifluoroacetamide;deuterium monohydride;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetamide;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;methanol;methyl (Z)-4-bromobut-2-enoate;methyl (Z)-4-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)-N-(2,2,2-trifluoroacetyl)anilino]but-2-enoate;methyl 2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetate;4-(pyrrolidin-1-ylsulfonylmethyl)aniline;2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetic acid;hydroiodide

C113H150Br3F6IN16O26S7 — CID 160832288

IUPACN-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]-2,2,2-trifluoroacetamide;deuterium monohydride;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetamide;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;methanol;methyl (Z)-4-bromobut-2-enoate;methyl (Z)-4-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)-N-(2,2,2-trifluoroacetyl)anilino]but-2-enoate;methyl 2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetate;4-(pyrrolidin-1-ylsulfonylmethyl)aniline;2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetic acid;hydroiodide
SMILESCN(C)C(=O)Cc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.CO.COC(=O)/C=C\CBr.COC(=O)/C=C\CN(C(=O)C(F)(F)F)c1ccc(CS(=O)(=O)N2CCCC2)cc1Br.COC(=O)Cc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.I.Nc1ccc(CS(=O)(=O)N2CCCC2)cc1.O=C(Nc1ccc(CS(=O)(=O)N2CCCC2)cc1Br)C(F)(F)F.O=C(O)Cc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.[H][2H]
InChIInChI=1S/C18H20BrF3N2O5S.C17H23N3O3S.C17H25N3O2S.C16H20N2O4S.C15H18N2O4S.C13H14BrF3N2O3S.C11H16N2O2S.C5H7BrO2.CH4O.HI.H2/c1-29-16(25)5-4-10-24(17(26)18(20,21)22)15-7-6-13(11-14(15)19)12-30(27,28)23-8-2-3-9-23;1-19(2)17(21)10-14-11-18-16-6-5-13(9-15(14)16)12-24(22,23)20-7-3-4-8-20;1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20;1-22-16(19)9-13-10-17-15-5-4-12(8-14(13)15)11-23(20,21)18-6-2-3-7-18;18-15(19)8-12-9-16-14-4-3-11(7-13(12)14)10-22(20,21)17-5-1-2-6-17;14-10-7-9(8-23(21,22)19-5-1-2-6-19)3-4-11(10)18-12(20)13(15,16)17;12-11-5-3-10(4-6-11)9-16(14,15)13-7-1-2-8-13;1-8-5(7)3-2-4-6;1-2;;/h4-7,11H,2-3,8-10,12H2,1H3;5-6,9,11,18H,3-4,7-8,10,12H2,1-2H3;5-6,11-12,18H,3-4,7-10,13H2,1-2H3;4-5,8,10,17H,2-3,6-7,9,11H2,1H3;3-4,7,9,16H,1-2,5-6,8,10H2,(H,18,19);3-4,7H,1-2,5-6,8H2,(H,18,20);3-6H,1-2,7-9,12H2;2-3H,4H2,1H3;2H,1H3;2*1H/b5-4-;;;;;;;3-2-;;;/i;;;;;;;;;;1+1
InChIKeyMSOVSELVKYEUJD-SQJTVIJESA-N
MW2854.61 g/mol
LogP16.10
Rot. Bonds37

About N-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]-2,2,2-trifluoroacetamide;deuterium monohydride;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetamide;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;methanol;methyl (Z)-4-bromobut-2-enoate;methyl (Z)-4-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)-N-(2,2,2-trifluoroacetyl)anilino]but-2-enoate;methyl 2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetate;4-(pyrrolidin-1-ylsulfonylmethyl)aniline;2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetic acid;hydroiodide

N-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]-2,2,2-trifluoroacetamide;deuterium monohydride;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetamide;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;methanol;methyl (Z)-4-bromobut-2-enoate;methyl (Z)-4-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)-N-(2,2,2-trifluoroacetyl)anilino]but-2-enoate;methyl 2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetate;4-(pyrrolidin-1-ylsulfonylmethyl)aniline;2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetic acid;hydroiodide (PubChem CID 160832288) has the molecular formula C113H150Br3F6IN16O26S7 and a molecular weight of 2854.61 g/mol. Its IUPAC name is N-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]-2,2,2-trifluoroacetamide;deuterium monohydride;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetamide;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;methanol;methyl (Z)-4-bromobut-2-enoate;methyl (Z)-4-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)-N-(2,2,2-trifluoroacetyl)anilino]but-2-enoate;methyl 2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetate;4-(pyrrolidin-1-ylsulfonylmethyl)aniline;2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetic acid;hydroiodide.

Molecular Properties

Compound NameN-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]-2,2,2-trifluoroacetamide;deuterium monohydride;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetamide;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;methanol;methyl (Z)-4-bromobut-2-enoate;methyl (Z)-4-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)-N-(2,2,2-trifluoroacetyl)anilino]but-2-enoate;methyl 2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetate;4-(pyrrolidin-1-ylsulfonylmethyl)aniline;2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetic acid;hydroiodide
PubChem CID160832288
Molecular FormulaC113H150Br3F6IN16O26S7
Molecular Weight2854.61 g/mol
Exact Mass2849.55
IUPAC NameN-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]-2,2,2-trifluoroacetamide;deuterium monohydride;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetamide;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;methanol;methyl (Z)-4-bromobut-2-enoate;methyl (Z)-4-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)-N-(2,2,2-trifluoroacetyl)anilino]but-2-enoate;methyl 2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetate;4-(pyrrolidin-1-ylsulfonylmethyl)aniline;2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetic acid;hydroiodide
SMILESCN(C)C(=O)Cc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.CO.COC(=O)/C=C\CBr.COC(=O)/C=C\CN(C(=O)C(F)(F)F)c1ccc(CS(=O)(=O)N2CCCC2)cc1Br.COC(=O)Cc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.I.Nc1ccc(CS(=O)(=O)N2CCCC2)cc1.O=C(Nc1ccc(CS(=O)(=O)N2CCCC2)cc1Br)C(F)(F)F.O=C(O)Cc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.[H][2H]
InChIInChI=1S/C18H20BrF3N2O5S.C17H23N3O3S.C17H25N3O2S.C16H20N2O4S.C15H18N2O4S.C13H14BrF3N2O3S.C11H16N2O2S.C5H7BrO2.CH4O.HI.H2/c1-29-16(25)5-4-10-24(17(26)18(20,21)22)15-7-6-13(11-14(15)19)12-30(27,28)23-8-2-3-9-23;1-19(2)17(21)10-14-11-18-16-6-5-13(9-15(14)16)12-24(22,23)20-7-3-4-8-20;1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20;1-22-16(19)9-13-10-17-15-5-4-12(8-14(13)15)11-23(20,21)18-6-2-3-7-18;18-15(19)8-12-9-16-14-4-3-11(7-13(12)14)10-22(20,21)17-5-1-2-6-17;14-10-7-9(8-23(21,22)19-5-1-2-6-19)3-4-11(10)18-12(20)13(15,16)17;12-11-5-3-10(4-6-11)9-16(14,15)13-7-1-2-8-13;1-8-5(7)3-2-4-6;1-2;;/h4-7,11H,2-3,8-10,12H2,1H3;5-6,9,11,18H,3-4,7-8,10,12H2,1-2H3;5-6,11-12,18H,3-4,7-10,13H2,1-2H3;4-5,8,10,17H,2-3,6-7,9,11H2,1H3;3-4,7,9,16H,1-2,5-6,8,10H2,(H,18,19);3-4,7H,1-2,5-6,8H2,(H,18,20);3-6H,1-2,7-9,12H2;2-3H,4H2,1H3;2H,1H3;2*1H/b5-4-;;;;;;;3-2-;;;/i;;;;;;;;;;1+1
InChIKeyMSOVSELVKYEUJD-SQJTVIJESA-N
XLogP16.10
TPSA560.23 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds37
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002854.61
LogP ≤ 516.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]-2,2,2-trifluoroacetamide;deuterium monohydride;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetamide;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;methanol;methyl (Z)-4-bromobut-2-enoate;methyl (Z)-4-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)-N-(2,2,2-trifluoroacetyl)anilino]but-2-enoate;methyl 2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetate;4-(pyrrolidin-1-ylsulfonylmethyl)aniline;2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetic acid;hydroiodide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]-2,2,2-trifluoroacetamide;deuterium monohydride;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetamide;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;methanol;methyl (Z)-4-bromobut-2-enoate;methyl (Z)-4-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)-N-(2,2,2-trifluoroacetyl)anilino]but-2-enoate;methyl 2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetate;4-(pyrrolidin-1-ylsulfonylmethyl)aniline;2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetic acid;hydroiodide?
The IUPAC name of N-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]-2,2,2-trifluoroacetamide;deuterium monohydride;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetamide;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;methanol;methyl (Z)-4-bromobut-2-enoate;methyl (Z)-4-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)-N-(2,2,2-trifluoroacetyl)anilino]but-2-enoate;methyl 2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetate;4-(pyrrolidin-1-ylsulfonylmethyl)aniline;2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetic acid;hydroiodide (CID 160832288) is N-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]-2,2,2-trifluoroacetamide;deuterium monohydride;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetamide;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;methanol;methyl (Z)-4-bromobut-2-enoate;methyl (Z)-4-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)-N-(2,2,2-trifluoroacetyl)anilino]but-2-enoate;methyl 2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetate;4-(pyrrolidin-1-ylsulfonylmethyl)aniline;2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetic acid;hydroiodide.
What is the SMILES notation for N-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]-2,2,2-trifluoroacetamide;deuterium monohydride;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetamide;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;methanol;methyl (Z)-4-bromobut-2-enoate;methyl (Z)-4-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)-N-(2,2,2-trifluoroacetyl)anilino]but-2-enoate;methyl 2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetate;4-(pyrrolidin-1-ylsulfonylmethyl)aniline;2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetic acid;hydroiodide?
The canonical SMILES for N-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]-2,2,2-trifluoroacetamide;deuterium monohydride;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetamide;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;methanol;methyl (Z)-4-bromobut-2-enoate;methyl (Z)-4-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)-N-(2,2,2-trifluoroacetyl)anilino]but-2-enoate;methyl 2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetate;4-(pyrrolidin-1-ylsulfonylmethyl)aniline;2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetic acid;hydroiodide is CN(C)C(=O)Cc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.CO.COC(=O)/C=C\CBr.COC(=O)/C=C\CN(C(=O)C(F)(F)F)c1ccc(CS(=O)(=O)N2CCCC2)cc1Br.COC(=O)Cc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.I.Nc1ccc(CS(=O)(=O)N2CCCC2)cc1.O=C(Nc1ccc(CS(=O)(=O)N2CCCC2)cc1Br)C(F)(F)F.O=C(O)Cc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.[H][2H].
What is the InChIKey of N-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]-2,2,2-trifluoroacetamide;deuterium monohydride;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetamide;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;methanol;methyl (Z)-4-bromobut-2-enoate;methyl (Z)-4-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)-N-(2,2,2-trifluoroacetyl)anilino]but-2-enoate;methyl 2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetate;4-(pyrrolidin-1-ylsulfonylmethyl)aniline;2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetic acid;hydroiodide?
The InChIKey is MSOVSELVKYEUJD-SQJTVIJESA-N. The full InChI is InChI=1S/C18H20BrF3N2O5S.C17H23N3O3S.C17H25N3O2S.C16H20N2O4S.C15H18N2O4S.C13H14BrF3N2O3S.C11H16N2O2S.C5H7BrO2.CH4O.HI.H2/c1-29-16(25)5-4-10-24(17(26)18(20,21)22)15-7-6-13(11-14(15)19)12-30(27,28)23-8-2-3-9-23;1-19(2)17(21)10-14-11-18-16-6-5-13(9-15(14)16)12-24(22,23)20-7-3-4-8-20;1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20;1-22-16(19)9-13-10-17-15-5-4-12(8-14(13)15)11-23(20,21)18-6-2-3-7-18;18-15(19)8-12-9-16-14-4-3-11(7-13(12)14)10-22(20,21)17-5-1-2-6-17;14-10-7-9(8-23(21,22)19-5-1-2-6-19)3-4-11(10)18-12(20)13(15,16)17;12-11-5-3-10(4-6-11)9-16(14,15)13-7-1-2-8-13;1-8-5(7)3-2-4-6;1-2;;/h4-7,11H,2-3,8-10,12H2,1H3;5-6,9,11,18H,3-4,7-8,10,12H2,1-2H3;5-6,11-12,18H,3-4,7-10,13H2,1-2H3;4-5,8,10,17H,2-3,6-7,9,11H2,1H3;3-4,7,9,16H,1-2,5-6,8,10H2,(H,18,19);3-4,7H,1-2,5-6,8H2,(H,18,20);3-6H,1-2,7-9,12H2;2-3H,4H2,1H3;2H,1H3;2*1H/b5-4-;;;;;;;3-2-;;;/i;;;;;;;;;;1+1.
What are the key properties of N-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]-2,2,2-trifluoroacetamide;deuterium monohydride;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetamide;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;methanol;methyl (Z)-4-bromobut-2-enoate;methyl (Z)-4-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)-N-(2,2,2-trifluoroacetyl)anilino]but-2-enoate;methyl 2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetate;4-(pyrrolidin-1-ylsulfonylmethyl)aniline;2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetic acid;hydroiodide?
N-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]-2,2,2-trifluoroacetamide;deuterium monohydride;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetamide;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;methanol;methyl (Z)-4-bromobut-2-enoate;methyl (Z)-4-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)-N-(2,2,2-trifluoroacetyl)anilino]but-2-enoate;methyl 2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetate;4-(pyrrolidin-1-ylsulfonylmethyl)aniline;2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetic acid;hydroiodide has a molecular weight of 2854.61 g/mol, XLogP of 16.10, 37 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]-2,2,2-trifluoroacetamide;deuterium monohydride;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetamide;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;methanol;methyl (Z)-4-bromobut-2-enoate;methyl (Z)-4-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)-N-(2,2,2-trifluoroacetyl)anilino]but-2-enoate;methyl 2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetate;4-(pyrrolidin-1-ylsulfonylmethyl)aniline;2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetic acid;hydroiodide is sourced from PubChem (CID 160832288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).