3-(2-amino-1,3-benzothiazol-4-yl)-6-butyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(1-fluoropropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;2-[4-(2-amino-1,3-benzothiazol-4-yl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)phenyl]ethanol;5-[4-cyclopropyl-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinoline;2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

C109H98F4N36O15S9 — CID 158137813

IUPAC3-(2-amino-1,3-benzothiazol-4-yl)-6-butyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(1-fluoropropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;2-[4-(2-amino-1,3-benzothiazol-4-yl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)phenyl]ethanol;5-[4-cyclopropyl-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinoline;2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
SMILESCCC(F)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.CCCCc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccc3cc(C(N)=O)[nH]c23)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C2CC2)ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1.CS(=O)(=O)c1c(CCO)ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1.CS(=O)(=O)c1c(CCO)ccc(-c2cccc3sc(N)nc23)c1-c1nn[nH]n1
InChIInChI=1S/C20H17N5O2S.C19H17N5O3S.C18H13F3N6O3S.C18H19N7O2S2.C17H16FN7O2S2.C17H16N6O3S2/c1-28(26,27)19-13(12-7-8-12)9-10-16(18(19)20-22-24-25-23-20)14-4-2-6-17-15(14)5-3-11-21-17;1-28(26,27)18-12(9-11-25)7-8-15(17(18)19-21-23-24-22-19)13-4-2-6-16-14(13)5-3-10-20-16;1-31(29,30)15-11(18(19,20)21)6-5-9(13(15)17-24-26-27-25-17)10-4-2-3-8-7-12(16(22)28)23-14(8)10;1-2-3-5-10-8-9-11(12-6-4-7-13-15(12)21-18(19)28-13)14(16(10)29(20,26)27)17-22-24-25-23-17;1-2-11(18)10-7-6-8(9-4-3-5-12-14(9)21-17(19)28-12)13(15(10)29(20,26)27)16-22-24-25-23-16;1-28(25,26)15-9(7-8-24)5-6-10(13(15)16-20-22-23-21-16)11-3-2-4-12-14(11)19-17(18)27-12/h2-6,9-12H,7-8H2,1H3,(H,22,23,24,25);2-8,10,25H,9,11H2,1H3,(H,21,22,23,24);2-7,23H,1H3,(H2,22,28)(H,24,25,26,27);4,6-9H,2-3,5H2,1H3,(H2,19,21)(H2,20,26,27)(H,22,23,24,25);3-7,11H,2H2,1H3,(H2,19,21)(H2,20,26,27)(H,22,23,24,25);2-6,24H,7-8H2,1H3,(H2,18,19)(H,20,21,22,23)
InChIKeyFTOIKGBFJKCQCV-UHFFFAOYSA-N
MW2516.81 g/mol
LogP15.09
Rot. Bonds29

About 3-(2-amino-1,3-benzothiazol-4-yl)-6-butyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(1-fluoropropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;2-[4-(2-amino-1,3-benzothiazol-4-yl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)phenyl]ethanol;5-[4-cyclopropyl-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinoline;2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

3-(2-amino-1,3-benzothiazol-4-yl)-6-butyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(1-fluoropropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;2-[4-(2-amino-1,3-benzothiazol-4-yl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)phenyl]ethanol;5-[4-cyclopropyl-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinoline;2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 158137813) has the molecular formula C109H98F4N36O15S9 and a molecular weight of 2516.81 g/mol. Its IUPAC name is 3-(2-amino-1,3-benzothiazol-4-yl)-6-butyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(1-fluoropropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;2-[4-(2-amino-1,3-benzothiazol-4-yl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)phenyl]ethanol;5-[4-cyclopropyl-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinoline;2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-(2-amino-1,3-benzothiazol-4-yl)-6-butyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(1-fluoropropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;2-[4-(2-amino-1,3-benzothiazol-4-yl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)phenyl]ethanol;5-[4-cyclopropyl-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinoline;2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
PubChem CID158137813
Molecular FormulaC109H98F4N36O15S9
Molecular Weight2516.81 g/mol
Exact Mass2514.54
IUPAC Name3-(2-amino-1,3-benzothiazol-4-yl)-6-butyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(1-fluoropropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;2-[4-(2-amino-1,3-benzothiazol-4-yl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)phenyl]ethanol;5-[4-cyclopropyl-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinoline;2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
SMILESCCC(F)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.CCCCc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccc3cc(C(N)=O)[nH]c23)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C2CC2)ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1.CS(=O)(=O)c1c(CCO)ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1.CS(=O)(=O)c1c(CCO)ccc(-c2cccc3sc(N)nc23)c1-c1nn[nH]n1
InChIInChI=1S/C20H17N5O2S.C19H17N5O3S.C18H13F3N6O3S.C18H19N7O2S2.C17H16FN7O2S2.C17H16N6O3S2/c1-28(26,27)19-13(12-7-8-12)9-10-16(18(19)20-22-24-25-23-20)14-4-2-6-17-15(14)5-3-11-21-17;1-28(26,27)18-12(9-11-25)7-8-15(17(18)19-21-23-24-22-19)13-4-2-6-16-14(13)5-3-10-20-16;1-31(29,30)15-11(18(19,20)21)6-5-9(13(15)17-24-26-27-25-17)10-4-2-3-8-7-12(16(22)28)23-14(8)10;1-2-3-5-10-8-9-11(12-6-4-7-13-15(12)21-18(19)28-13)14(16(10)29(20,26)27)17-22-24-25-23-17;1-2-11(18)10-7-6-8(9-4-3-5-12-14(9)21-17(19)28-12)13(15(10)29(20,26)27)16-22-24-25-23-16;1-28(25,26)15-9(7-8-24)5-6-10(13(15)16-20-22-23-21-16)11-3-2-4-12-14(11)19-17(18)27-12/h2-6,9-12H,7-8H2,1H3,(H,22,23,24,25);2-8,10,25H,9,11H2,1H3,(H,21,22,23,24);2-7,23H,1H3,(H2,22,28)(H,24,25,26,27);4,6-9H,2-3,5H2,1H3,(H2,19,21)(H2,20,26,27)(H,22,23,24,25);3-7,11H,2H2,1H3,(H2,19,21)(H2,20,26,27)(H,22,23,24,25);2-6,24H,7-8H2,1H3,(H2,18,19)(H,20,21,22,23)
InChIKeyFTOIKGBFJKCQCV-UHFFFAOYSA-N
XLogP15.09
TPSA825.49 Ų
H-Bond Donors15
H-Bond Acceptors44
Rotatable Bonds29
Heavy Atoms173
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002516.81
LogP ≤ 515.09
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1044

Analyze 3-(2-amino-1,3-benzothiazol-4-yl)-6-butyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(1-fluoropropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;2-[4-(2-amino-1,3-benzothiazol-4-yl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)phenyl]ethanol;5-[4-cyclopropyl-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinoline;2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-benzothiazol-4-yl)-6-butyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(1-fluoropropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;2-[4-(2-amino-1,3-benzothiazol-4-yl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)phenyl]ethanol;5-[4-cyclopropyl-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinoline;2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-(2-amino-1,3-benzothiazol-4-yl)-6-butyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(1-fluoropropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;2-[4-(2-amino-1,3-benzothiazol-4-yl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)phenyl]ethanol;5-[4-cyclopropyl-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinoline;2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide (CID 158137813) is 3-(2-amino-1,3-benzothiazol-4-yl)-6-butyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(1-fluoropropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;2-[4-(2-amino-1,3-benzothiazol-4-yl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)phenyl]ethanol;5-[4-cyclopropyl-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinoline;2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-(2-amino-1,3-benzothiazol-4-yl)-6-butyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(1-fluoropropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;2-[4-(2-amino-1,3-benzothiazol-4-yl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)phenyl]ethanol;5-[4-cyclopropyl-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinoline;2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-(2-amino-1,3-benzothiazol-4-yl)-6-butyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(1-fluoropropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;2-[4-(2-amino-1,3-benzothiazol-4-yl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)phenyl]ethanol;5-[4-cyclopropyl-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinoline;2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide is CCC(F)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.CCCCc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccc3cc(C(N)=O)[nH]c23)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C2CC2)ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1.CS(=O)(=O)c1c(CCO)ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1.CS(=O)(=O)c1c(CCO)ccc(-c2cccc3sc(N)nc23)c1-c1nn[nH]n1.
What is the InChIKey of 3-(2-amino-1,3-benzothiazol-4-yl)-6-butyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(1-fluoropropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;2-[4-(2-amino-1,3-benzothiazol-4-yl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)phenyl]ethanol;5-[4-cyclopropyl-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinoline;2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is FTOIKGBFJKCQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S.C19H17N5O3S.C18H13F3N6O3S.C18H19N7O2S2.C17H16FN7O2S2.C17H16N6O3S2/c1-28(26,27)19-13(12-7-8-12)9-10-16(18(19)20-22-24-25-23-20)14-4-2-6-17-15(14)5-3-11-21-17;1-28(26,27)18-12(9-11-25)7-8-15(17(18)19-21-23-24-22-19)13-4-2-6-16-14(13)5-3-10-20-16;1-31(29,30)15-11(18(19,20)21)6-5-9(13(15)17-24-26-27-25-17)10-4-2-3-8-7-12(16(22)28)23-14(8)10;1-2-3-5-10-8-9-11(12-6-4-7-13-15(12)21-18(19)28-13)14(16(10)29(20,26)27)17-22-24-25-23-17;1-2-11(18)10-7-6-8(9-4-3-5-12-14(9)21-17(19)28-12)13(15(10)29(20,26)27)16-22-24-25-23-16;1-28(25,26)15-9(7-8-24)5-6-10(13(15)16-20-22-23-21-16)11-3-2-4-12-14(11)19-17(18)27-12/h2-6,9-12H,7-8H2,1H3,(H,22,23,24,25);2-8,10,25H,9,11H2,1H3,(H,21,22,23,24);2-7,23H,1H3,(H2,22,28)(H,24,25,26,27);4,6-9H,2-3,5H2,1H3,(H2,19,21)(H2,20,26,27)(H,22,23,24,25);3-7,11H,2H2,1H3,(H2,19,21)(H2,20,26,27)(H,22,23,24,25);2-6,24H,7-8H2,1H3,(H2,18,19)(H,20,21,22,23).
What are the key properties of 3-(2-amino-1,3-benzothiazol-4-yl)-6-butyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(1-fluoropropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;2-[4-(2-amino-1,3-benzothiazol-4-yl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)phenyl]ethanol;5-[4-cyclopropyl-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinoline;2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
3-(2-amino-1,3-benzothiazol-4-yl)-6-butyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(1-fluoropropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;2-[4-(2-amino-1,3-benzothiazol-4-yl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)phenyl]ethanol;5-[4-cyclopropyl-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinoline;2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 2516.81 g/mol, XLogP of 15.09, 29 rotatable bonds, 15 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-benzothiazol-4-yl)-6-butyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(1-fluoropropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;2-[4-(2-amino-1,3-benzothiazol-4-yl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)phenyl]ethanol;5-[4-cyclopropyl-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinoline;2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 158137813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).