3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide

C121H126N50O15S8 — CID 162173810

IUPAC3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide
SMILESCc1ccc(-c2ccc(-c3c[nH]c(=O)[nH]3)cc2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(-c3cnc(N)n3C)cc2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(/C(N)=N/C3CCNC3)cc2)c(C2=NCN=N2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(/C(N)=N/C3CNC3)cc2)c(C2=NCN=N2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(/C(N)=N/CCCN)cc2)c(C2=NCN=N2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(N)cn2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
InChIInChI=1S/C20H23N7O2S.C19H21N7O2S.C19H23N7O2S.C18H18N8O2S.C17H15N7O3S.C15H13N7O2S2.C13H13N7O2S/c1-12-2-7-16(17(18(12)30(22,28)29)20-24-11-25-27-20)13-3-5-14(6-4-13)19(21)26-15-8-9-23-10-15;1-11-2-7-15(16(17(11)29(21,27)28)19-23-10-24-26-19)12-3-5-13(6-4-12)18(20)25-14-8-22-9-14;1-12-3-8-15(16(17(12)29(22,27)28)19-24-11-25-26-19)13-4-6-14(7-5-13)18(21)23-10-2-9-20;1-10-3-8-13(15(16(10)29(20,27)28)17-22-24-25-23-17)11-4-6-12(7-5-11)14-9-21-18(19)26(14)2;1-9-2-7-12(14(15(9)28(18,26)27)16-21-23-24-22-16)10-3-5-11(6-4-10)13-8-19-17(25)20-13;1-7-5-6-8(9-3-2-4-10-12(9)18-15(16)25-10)11(13(7)26(17,23)24)14-19-21-22-20-14;1-7-2-4-9(10-5-3-8(14)6-16-10)11(12(7)23(15,21)22)13-17-19-20-18-13/h2-7,15,23H,8-11H2,1H3,(H2,21,26)(H2,22,28,29);2-7,14,22H,8-10H2,1H3,(H2,20,25)(H2,21,27,28);3-8H,2,9-11,20H2,1H3,(H2,21,23)(H2,22,27,28);3-9H,1-2H3,(H2,19,21)(H2,20,27,28)(H,22,23,24,25);2-8H,1H3,(H2,18,26,27)(H2,19,20,25)(H,21,22,23,24);2-6H,1H3,(H2,16,18)(H2,17,23,24)(H,19,20,21,22);2-6H,14H2,1H3,(H2,15,21,22)(H,17,18,19,20)
InChIKeyZODASDNNONJXOZ-UHFFFAOYSA-N
MW2777.21 g/mol
LogP9.03
Rot. Bonds31

About 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide

3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide (PubChem CID 162173810) has the molecular formula C121H126N50O15S8 and a molecular weight of 2777.21 g/mol. Its IUPAC name is 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide.

Molecular Properties

Compound Name3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide
PubChem CID162173810
Molecular FormulaC121H126N50O15S8
Molecular Weight2777.21 g/mol
Exact Mass2774.84
IUPAC Name3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide
SMILESCc1ccc(-c2ccc(-c3c[nH]c(=O)[nH]3)cc2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(-c3cnc(N)n3C)cc2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(/C(N)=N/C3CCNC3)cc2)c(C2=NCN=N2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(/C(N)=N/C3CNC3)cc2)c(C2=NCN=N2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(/C(N)=N/CCCN)cc2)c(C2=NCN=N2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(N)cn2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
InChIInChI=1S/C20H23N7O2S.C19H21N7O2S.C19H23N7O2S.C18H18N8O2S.C17H15N7O3S.C15H13N7O2S2.C13H13N7O2S/c1-12-2-7-16(17(18(12)30(22,28)29)20-24-11-25-27-20)13-3-5-14(6-4-13)19(21)26-15-8-9-23-10-15;1-11-2-7-15(16(17(11)29(21,27)28)19-23-10-24-26-19)12-3-5-13(6-4-12)18(20)25-14-8-22-9-14;1-12-3-8-15(16(17(12)29(22,27)28)19-24-11-25-26-19)13-4-6-14(7-5-13)18(21)23-10-2-9-20;1-10-3-8-13(15(16(10)29(20,27)28)17-22-24-25-23-17)11-4-6-12(7-5-11)14-9-21-18(19)26(14)2;1-9-2-7-12(14(15(9)28(18,26)27)16-21-23-24-22-16)10-3-5-11(6-4-10)13-8-19-17(25)20-13;1-7-5-6-8(9-3-2-4-10-12(9)18-15(16)25-10)11(13(7)26(17,23)24)14-19-21-22-20-14;1-7-2-4-9(10-5-3-8(14)6-16-10)11(12(7)23(15,21)22)13-17-19-20-18-13/h2-7,15,23H,8-11H2,1H3,(H2,21,26)(H2,22,28,29);2-7,14,22H,8-10H2,1H3,(H2,20,25)(H2,21,27,28);3-8H,2,9-11,20H2,1H3,(H2,21,23)(H2,22,27,28);3-9H,1-2H3,(H2,19,21)(H2,20,27,28)(H,22,23,24,25);2-8H,1H3,(H2,18,26,27)(H2,19,20,25)(H,21,22,23,24);2-6H,1H3,(H2,16,18)(H2,17,23,24)(H,19,20,21,22);2-6H,14H2,1H3,(H2,15,21,22)(H,17,18,19,20)
InChIKeyZODASDNNONJXOZ-UHFFFAOYSA-N
XLogP9.03
TPSA1085.73 Ų
H-Bond Donors22
H-Bond Acceptors50
Rotatable Bonds31
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002777.21
LogP ≤ 59.03
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide?
The IUPAC name of 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide (CID 162173810) is 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide.
What is the SMILES notation for 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide?
The canonical SMILES for 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide is Cc1ccc(-c2ccc(-c3c[nH]c(=O)[nH]3)cc2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(-c3cnc(N)n3C)cc2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(/C(N)=N/C3CCNC3)cc2)c(C2=NCN=N2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(/C(N)=N/C3CNC3)cc2)c(C2=NCN=N2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(/C(N)=N/CCCN)cc2)c(C2=NCN=N2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(N)cn2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.
What is the InChIKey of 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide?
The InChIKey is ZODASDNNONJXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2S.C19H21N7O2S.C19H23N7O2S.C18H18N8O2S.C17H15N7O3S.C15H13N7O2S2.C13H13N7O2S/c1-12-2-7-16(17(18(12)30(22,28)29)20-24-11-25-27-20)13-3-5-14(6-4-13)19(21)26-15-8-9-23-10-15;1-11-2-7-15(16(17(11)29(21,27)28)19-23-10-24-26-19)12-3-5-13(6-4-12)18(20)25-14-8-22-9-14;1-12-3-8-15(16(17(12)29(22,27)28)19-24-11-25-26-19)13-4-6-14(7-5-13)18(21)23-10-2-9-20;1-10-3-8-13(15(16(10)29(20,27)28)17-22-24-25-23-17)11-4-6-12(7-5-11)14-9-21-18(19)26(14)2;1-9-2-7-12(14(15(9)28(18,26)27)16-21-23-24-22-16)10-3-5-11(6-4-10)13-8-19-17(25)20-13;1-7-5-6-8(9-3-2-4-10-12(9)18-15(16)25-10)11(13(7)26(17,23)24)14-19-21-22-20-14;1-7-2-4-9(10-5-3-8(14)6-16-10)11(12(7)23(15,21)22)13-17-19-20-18-13/h2-7,15,23H,8-11H2,1H3,(H2,21,26)(H2,22,28,29);2-7,14,22H,8-10H2,1H3,(H2,20,25)(H2,21,27,28);3-8H,2,9-11,20H2,1H3,(H2,21,23)(H2,22,27,28);3-9H,1-2H3,(H2,19,21)(H2,20,27,28)(H,22,23,24,25);2-8H,1H3,(H2,18,26,27)(H2,19,20,25)(H,21,22,23,24);2-6H,1H3,(H2,16,18)(H2,17,23,24)(H,19,20,21,22);2-6H,14H2,1H3,(H2,15,21,22)(H,17,18,19,20).
What are the key properties of 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide?
3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide has a molecular weight of 2777.21 g/mol, XLogP of 9.03, 31 rotatable bonds, 22 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide is sourced from PubChem (CID 162173810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).